SCHEMBL7006875

SCHEMBL7006875

COC(=O)c1ccc[c]c1N

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.56
HSD17B10 Q99714 3/20 0.56
CFTR P13569 1/20 0.56
LMNA P02545 2/20 0.48
TSHR P16473 2/20 0.48
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA5A P35218 1/20 0.46
CA9 Q16790 1/20 0.46
KDM4E B2RXH2 5/20 0.46
ATM Q13315 2/20 0.46
POLB P06746 1/20 0.46
GAA P10253 6/20 0.43
MAPT P10636 6/20 0.43
HPGD P15428 3/20 0.43
GLA P06280 2/20 0.43
CASP1 P29466 1/20 0.43
CASP7 P55210 1/20 0.43
ALOX15 P16050 2/20 0.42
KMT2A Q03164 2/20 0.42

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
SCHEMBL7406380 0.79 LMNA (0.55) ALDH1A1HSD17B10CFTRLMNATSHR
SCHEMBL670604 0.79 LMNA (0.50) ALDH1A1HSD17B10CFTRLMNATSHR
SCHEMBL1098615 0.79 TSHR (0.50) ALDH1A1HSD17B10CFTRLMNATSHR
SCHEMBL4651746 0.79 BRD4 (0.37) ALDH1A1HSD17B10CFTRLMNAKDM4E
SCHEMBL10652894 0.78 TSHR (0.48) ALDH1A1HSD17B10CFTRLMNATSHR
SCHEMBL16951611 0.78 TSHR (0.48) ALDH1A1HSD17B10CFTRLMNATSHR
SCHEMBL5106840 0.78 LMNA (0.48) ALDH1A1HSD17B10CFTRLMNATSHR
SCHEMBL5746540 0.78 TSHR (0.48) ALDH1A1HSD17B10CFTRLMNATSHR
SCHEMBL1967336 0.78 SLC6A3 (0.51) ALDH1A1HSD17B10CFTRLMNATSHR
SCHEMBL3727873 0.76 ALDH1A1 (0.48) ALDH1A1HSD17B10TSHRCA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20020198199-A1 Substituted polycyclic aryl and heteroaryl pyridines useful for selective inhibition of the coagulation cascade PHARMACIA CORPORATION 2002-12-26 US claimed
JP-2002544264-A 2002-12-24 JP claimed
JP-2002544260-A 2002-12-24 JP claimed
JP-2002544263-A 2002-12-24 JP claimed
JP-2002544262-A 2002-12-24 JP claimed
EP-1202975-A1 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL PYRAZINONES USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE Pharmacia Corporation (US) 2002-05-08 EP claimed
EP-1178970-A1 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL PYRYMIDINONES USEFUL AS ANTICOAGULANTS Pharmacia Corporation (US) 2002-02-13 EP claimed
EP-1178964-A1 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL PYRIDONES USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE Pharmacia Corporation (US) 2002-02-13 EP claimed
EP-1178971-A1 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL URACILS AS ANTICOAGULATIVE AGENTS Pharmacia Corporation (US) 2002-02-13 EP claimed
WO-2001087842-A1 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL PYRIDONES 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
WO-2000069833-A1 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL URACILS AS ANTICOAGULATIVE AGENTS PHARMACIA CORPORATION (US) 2000-11-23 WO claimed
WO-2000069832-A1 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL PYRYMIDINONES USEFUL AS ANTICOAGULANTS PHARMACIA CORPORATION (US) 2000-11-23 WO claimed
WO-2000069826-A1 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL PYRIDONES USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE PHARMACIA CORPORATION (US) 2000-11-23 WO claimed
WO-2000069834-A1 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL PYRAZINONES USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE PHARMACIA CORPORATION (US) 2000-11-23 WO claimed
CN-106413402-A Hepatitis b core protein allosteric modulators 美国印第安纳大学研究和技术公司 2017-02-15 CN disclosed
CN-1039714-C Substituted indole, azaindole and tetrahydro-1H-pyrrol pyrrolo [2,3-c] pyridin-7-one derivatives SYTEX U S A INC (US) 1998-09-09 CN disclosed
CN-1078469-A Substituted indole, the assorted indoles of ammonia and tetrahydro-1 H-pyrrolo be [2,3-c] pyridin-7-one derivatives also SYTEX A INC (US) 1993-11-17 CN disclosed

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

For each of this compound's patents that has machine-readable text (1 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-20020198199-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

“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.