Sugi Predict

Sugi Predict / Compounds / SCHEMBL6281624

SCHEMBL6281624

SCHEMBL6281624

CCc1cc(O[C]2CCCCC2)ccc1Cl

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 5/20 0.49
▸ SLC6A4 P31645 5/20 0.49
▸ KCNH2 Q12809 5/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ KDM4E B2RXH2 3/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ CTSD P07339 1/20 0.40
▸ BACE1 P56817 1/20 0.40
▸ GPR84 Q9NQS5 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ CETP P11597 6/20 0.36
▸ P4HB P07237 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ SCN9A Q15858 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL921801 0.77 ST14 (0.55) HTR2ASLC6A4KCNH2L3MBTL1KDM4E
SCHEMBL994959 0.75 HTR2A (0.52) HTR2ASLC6A4KCNH2L3MBTL1KDM4E
SCHEMBL3761927 0.73 L3MBTL1 (0.54) HTR2ASLC6A4KCNH2L3MBTL1KDM4E
SCHEMBL6281628 0.73 L3MBTL1 (0.44) HTR2ASLC6A4KCNH2L3MBTL1KDM4E
SCHEMBL3282466 0.73 MAOB (0.51) HTR2ASLC6A4KCNH2L3MBTL1KDM4E
SCHEMBL919857 0.72 HTR2A (0.54) HTR2ASLC6A4KCNH2L3MBTL1KDM4E
SCHEMBL12126681 0.72 L3MBTL1 (0.61) HTR2ASLC6A4KCNH2L3MBTL1KDM4E
SCHEMBL3761925 0.72 L3MBTL1 (0.53) HTR2ASLC6A4KCNH2L3MBTL1KDM4E
SCHEMBL13490743 0.70 L3MBTL1 (0.63) HTR2ASLC6A4KCNH2L3MBTL1KDM4E
SCHEMBL7647718 0.70 HTR2A (0.48) HTR2ASLC6A4KCNH2L3MBTL1KDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 57 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040171839-A1 Polycyclic aryl and heteroaryl substituted 1, 4-quinones useful for selective inhibition of the coagulation cascade PHARMACIA CORPORATION 2004-09-02 — — US claimed
US-20040171616-A9 Polycyclic aryl and heteroaryl substituted 1,4-quinones useful for selective inhibition of the coagulation cascade PHARMACIA CORPORATION 2004-09-02 — — US claimed
US-20040162319-A1 Polycyclic aryl and heteroaryl substituted 4-pyridones useful for selective inhibition of the coagulation cascade PHARMACIA CORPORATION 2004-08-19 — — US claimed
US-20040138275-A1 Polycyclic aryl and heteroaryl substituted benzenes useful for selective inhibition of the coagulation cascade PHARMACIA CORPORATION 2004-07-15 — — US claimed
JP-2004505014-A — — 2004-02-19 — — JP claimed
US-20040006227-A1 Polycyclic aryl and heteroaryl substituted 4-pyrones useful for selective inhibition of the coagulation cascade PHARMACIA CORPORATION 2004-01-08 — — US claimed
US-20030236257-A1 Polycyclic aryl and heteroaryl substituted 4-pyridones useful for selective inhibition of the cogulation cascade PHARMACIA CORPORATION 2003-12-25 — — US claimed
US-20030236231-A1 Polycyclic aryl and heteroaryl substituted benzenes useful for selective inhibition of the coagulation cascade PHARMACIA CORPORATION 2003-12-25 — — US claimed
US-20030225086-A1 Polycyclic aryl and heteroaryl substituted 1,4-quinones useful for selective inhibition of the coagulation cascade SOUTH MICHAEL S (US) 2003-12-04 — — US claimed
US-20030216451-A1 Polycyclic aryl and heteroaryl substituted 4-pyrones useful for selective inhibition of the coagulation cascade PHARMACIA CORPORATION 2003-11-20 — — US claimed
US-20020025947-A1 Polycyclic aryl and heteroaryl substituted benzenes useful for selective inhibition of the coagulation cascade PHARMACIA CORPORATION 2002-02-28 — — US claimed
US-20020022604-A1 Polycyclic aryl and heteroaryl substituted 4-pyrones useful for selective inhibition of the coagulation cascade PHAMACIA CORPORATION 2002-02-21 — — US claimed
US-20020010344-A1 Polycyclic aryl and heteroaryl substituted 1,4-quinones useful for selective inhibition of the coagulation cascade PHARMACIA CORPORATION 2002-01-24 — — US claimed
WO-2001079155-A2 POLYCYCLIC ARYL AND HETEROARYL SUBSTITUTED 1,4-QUINONES USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE PHARMACIA CORPORATION (US) 2001-10-25 — — WO claimed
WO-2001077079-A2 POLYCYCLIC ARYL AND HETEROARYL SUBSTITUTED 4-PYRIDONES USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE PHARMACIA CORPORATION (US) 2001-10-18 — — WO claimed
WO-2001077097-A2 POLYCYCLIC ARYL AND HETEROARYL SUBSTITUTED 4-PYRONES USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE PHARMACIA CORPORATION (US) 2001-10-18 — — WO claimed
WO-2001068605-A1 POLYCYCLIC ARYL AND HETEROARYL SUBSTITUTED BENZENES USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE PHARMACIA CORPORATION (US) 2001-09-20 — — WO claimed
US-20010018446-A1 Substituted N-Aliphatic-N-Aromatictertiary-Heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity G.D. SEARLE & CO. (US) 2001-08-30 — — US claimed
EP-1115694-A1 SUBSTITUTED N-ALIPHATIC-N-AROMATIC (TERTIARY)-HETEROALKYLAMINES USEFUL FOR INHIBITING CHOLESTERYL ESTER TRANSFER PROTEIN ACTIVITY Monsanto Company (US) 2001-07-18 — — EP claimed
WO-2000018723-A1 SUBSTITUTED N-ALIPHATIC-N-AROMATIC TERTIARY-HETEROALKYLAMINES USEFUL FOR INHIBITING CHOLESTERYL ESTER TRANSFER PROTEIN ACTIVITY MONSANTO COMPANY (US) 2000-04-06 — — WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (13 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040006227-A1 Polycyclic aryl and heteroaryl substituted 4-pyrones useful for selective inhibition of the coagulation cascade TFPI, PLAT, F2 HTR2A 2134/4885SLC6A4 4677/4885KCNH2 1808/4885
US-20040162319-A1 Polycyclic aryl and heteroaryl substituted 4-pyridones useful for selective inhibition of the coagulation cascade TFPI, PLAT, TFPI2 HTR2A 1181/4885SLC6A4 3329/4885KCNH2 2675/4885
US-20010018446-A1 Substituted N-Aliphatic-N-Aromatictertiary-Heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity CETP, DBI, MTTP HTR2A 2730/4885SLC6A4 1073/4885KCNH2 3470/4885
US-20030236231-A1 Polycyclic aryl and heteroaryl substituted benzenes useful for selective inhibition of the coagulation cascade TFPI, TFPI2, PLAT HTR2A 2461/4885SLC6A4 4255/4885KCNH2 2111/4885
US-20040171839-A1 Polycyclic aryl and heteroaryl substituted 1, 4-quinones useful for selective inhibition of the coagulation cascade TFPI, SERPINC1, F2 HTR2A 3160/4885SLC6A4 4223/4885KCNH2 2570/4885
US-20030236257-A1 Polycyclic aryl and heteroaryl substituted 4-pyridones useful for selective inhibition of the cogulation cascade PLG, TFPI, PLAT HTR2A 847/4885SLC6A4 1336/4885KCNH2 4541/4885
US-20020010344-A1 Polycyclic aryl and heteroaryl substituted 1,4-quinones useful for selective inhibition of the coagulation cascade TFPI, SERPINC1, F2 HTR2A 3160/4885SLC6A4 4223/4885KCNH2 2570/4885
US-20030225086-A1 Polycyclic aryl and heteroaryl substituted 1,4-quinones useful for selective inhibition of the coagulation cascade TFPI, SERPINC1, F2 HTR2A 3160/4885SLC6A4 4223/4885KCNH2 2570/4885
US-20040171616-A9 Polycyclic aryl and heteroaryl substituted 1,4-quinones useful for selective inhibition of the coagulation cascade TFPI, SERPINC1, F2 HTR2A 3160/4885SLC6A4 4223/4885KCNH2 2570/4885
US-20040138275-A1 Polycyclic aryl and heteroaryl substituted benzenes useful for selective inhibition of the coagulation cascade TFPI, TFPI2, PLAT HTR2A 2461/4885SLC6A4 4255/4885KCNH2 2111/4885
US-20030216451-A1 Polycyclic aryl and heteroaryl substituted 4-pyrones useful for selective inhibition of the coagulation cascade TFPI, PLAT, F2 HTR2A 2134/4885SLC6A4 4677/4885KCNH2 1808/4885
US-20020025947-A1 Polycyclic aryl and heteroaryl substituted benzenes useful for selective inhibition of the coagulation cascade TFPI, TFPI2, PLAT HTR2A 2461/4885SLC6A4 4255/4885KCNH2 2111/4885
US-20020022604-A1 Polycyclic aryl and heteroaryl substituted 4-pyrones useful for selective inhibition of the coagulation cascade TFPI, PLAT, F2 HTR2A 2134/4885SLC6A4 4677/4885KCNH2 1808/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.