SCHEMBL6790765

SCHEMBL6790765

COC(=O)c1[c]cccc1N

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.52
HSD17B10 Q99714 5/20 0.52
CFTR P13569 2/20 0.52
KDM4E B2RXH2 10/20 0.40
GAA P10253 6/20 0.40
MAPT P10636 6/20 0.40
HPGD P15428 4/20 0.40
GLA P06280 3/20 0.40
ATM Q13315 2/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
TSHR P16473 3/20 0.39
ABL1 P00519 1/20 0.39
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA9 Q16790 2/20 0.38
CA12 O43570 1/20 0.38
CA7 P43166 1/20 0.38
CA14 Q9ULX7 1/20 0.38
ALOX15 P16050 2/20 0.38

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
SCHEMBL27749672 0.81 ALDH1A1 (0.56) ALDH1A1HSD17B10KDM4EGAAMAPT
SCHEMBL28249598 0.81 GRM6 (0.38) ALDH1A1HSD17B10CFTRKDM4EGAA
SCHEMBL670604 0.79 LMNA (0.50) ALDH1A1HSD17B10CFTRKDM4EMAPT
SCHEMBL7471896 0.79 CA1 (0.53) ALDH1A1HSD17B10CFTRKDM4EGAA
SCHEMBL1967335 0.79 TSHR (0.41) ALDH1A1HSD17B10CFTRKDM4EGAA
SCHEMBL7476141 0.78 MAPT (0.41) ALDH1A1HSD17B10KDM4EGAAMAPT
SCHEMBL5746537 0.78 TSHR (0.39) ALDH1A1HSD17B10CFTRKDM4EGAA
SCHEMBL1968479 0.78 NR4A2 (0.41) ALDH1A1HSD17B10KDM4EGAAMAPT
SCHEMBL27579614 0.78 ALDH1A1 (0.41) ALDH1A1HSD17B10CFTRKDM4EGAA
SCHEMBL7088459 0.77 ALOX5 (0.41) ALDH1A1HSD17B10CFTRKDM4ECASP1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040068113-A1 Substituted polycyclic aryl and heteroaryl pyridines useful for selective inhibition of the coagulation cascade PHARMACIA CORPORATION 2004-04-08 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
EP-1292579-A1 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL PYRAZINONES USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE Pharmacia Corporation (US) 2003-03-19 EP claimed
EP-1268428-A2 POLYCYCLIC ARYL AND HETEROARYL SUBSTITUTED 4-PYRIDONES USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE Pharmacia Corporation (US) 2003-01-02 EP claimed
WO-2001087854-A1 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL PYRAZINONES USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE PHARMACIA CORPORATION (US) 2001-11-22 WO claimed
WO-2001087852-A1 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL URACILS USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE PHARMACIA CORPORATION (US) 2001-11-22 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

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

For each of this compound's patents that has machine-readable text (2 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-20040068113-A1 Substituted polycyclic aryl and heteroaryl pyridines useful for selective inhibition of the coagulation cascade TFPI, F2, PLAT ALDH1A1 2284/4885HSD17B10 1733/4885CFTR 3237/4885
US-20030236257-A1 Polycyclic aryl and heteroaryl substituted 4-pyridones useful for selective inhibition of the cogulation cascade PLG, TFPI, PLAT ALDH1A1 2478/4885HSD17B10 1352/4885CFTR 4607/4885

“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.