SCHEMBL1503825

SCHEMBL1503825

COC(=O)C(Cc1ccc(Cl)cc1)NC=O

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 8/20 0.54
NOS3 P29474 3/20 0.44
NOS1 P29475 3/20 0.44
PYGL P06737 1/20 0.43
ATM Q13315 2/20 0.43
ALDH1A1 P00352 1/20 0.42
THRB P10828 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CDK2 P24941 3/20 0.41
HDAC1 Q13547 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41
FPR2 P25090 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL22804064 0.86 ESR1 (0.56) NOS2NOS3NOS1ATMALDH1A1
SCHEMBL765300 0.86 ATM (0.54) NOS2NOS3NOS1ATMALDH1A1
SCHEMBL29057553 0.86 ESR1 (0.56) NOS2NOS3NOS1ATMALDH1A1
SCHEMBL10587222 0.86 ESR1 (0.56) NOS2NOS3NOS1ATMALDH1A1
SCHEMBL11549702 0.85 LNPEP (0.45) NOS2NOS3NOS1ATMALDH1A1
SCHEMBL6658615 0.85 NOS2 (0.44) NOS2NOS3NOS1ATMALDH1A1
SCHEMBL6572040 0.85 LNPEP (0.45) NOS2NOS3NOS1ATMALDH1A1
SCHEMBL3499885 0.84 ATM (0.58) NOS2NOS3NOS1ATMALDH1A1
SCHEMBL27925079 0.84 ATM (0.58) NOS2NOS3NOS1ATMALDH1A1
SCHEMBL1274700 0.84 ATM (0.58) NOS2NOS3NOS1ATMALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2315761-B1 PHARMACEUTICAL COMPOUNDS SENTINEL ONCOLOGY LTD (GB) 2018-07-11 EP disclosed
EP-2431370-B1 Monoacylated 1,2-diaminocycloalkanes DAIICHI SANKYO CO LTD (JP) 2013-06-19 EP disclosed
US-8461339-B2 Pharmaceutical compounds SENTINEL ONCOLOGY LIMITED (US) 2013-06-11 US disclosed
EP-1405852-B9 DIAMINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2013-03-27 EP disclosed
EP-1405852-B9 DIAMINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2013-03-27 EP disclosed
EP-1577301-B1 Antithrombotic diaminocyclohexane derivatives DAIICHI SANKYO CO LTD (JP) 2012-09-12 EP disclosed
EP-1405852-B1 DIAMINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2012-08-01 EP disclosed
US-20110312990-A1 Diamine Derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-12-22 US disclosed
US-20110312990-A1 Diamine Derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-12-22 US disclosed
EP-2343290-A1 Diamine derivatives as factor X inhibitors Daiichi Sankyo Company, Limited (JP) 2011-07-13 EP disclosed
US-20080015215-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-01-17 US disclosed
US-7192968-B2 Ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-03-20 US disclosed
US-7192968-B2 Ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-03-20 US disclosed
US-20060252837-A1 Cyclic diamine derivatives useful as agents for preventing and/or treating cerebral infarction, cerebral embolism, myocardial infarction, angina pectoris, pulmonary infarction, pulmonary embolism; inhibit activated blood coagulation factor X DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-11-09 US disclosed
US-20050245565-A1 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-11-03 US disclosed
EP-1577301-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-09-21 EP disclosed
US-20050119486-A1 Diamine derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2005-06-02 US disclosed
US-20050020645-A1 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-01-27 US disclosed
EP-1415992-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-05-06 EP disclosed
EP-1405852-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-04-07 EP 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 (6 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-20060252837-A1 Cyclic diamine derivatives useful as agents for preventing and/or treating cerebral infarction, cerebral embolism, myocardial infarction, angina pectoris, pulmonary infarction, pulmonary embolism; inhibit activated blood coagulation factor X F2, C1S, C9 NOS2 849/4885NOS3 534/4885NOS1 412/4885
US-20050020645-A1 Diamine derivatives C9, C1S, C1R NOS2 433/4885NOS3 225/4885NOS1 151/4885
US-20080015215-A1 DIAMINE DERIVATIVES C9, C1S, C1R NOS2 433/4885NOS3 225/4885NOS1 151/4885
US-20050245565-A1 Diamine derivatives C9, C1S, C1R NOS2 433/4885NOS3 225/4885NOS1 151/4885
US-20050119486-A1 Diamine derivatives C9, C1S, C1R NOS2 433/4885NOS3 225/4885NOS1 151/4885
US-20110312990-A1 Diamine Derivatives C9, C1S, C1R NOS2 501/4885NOS3 229/4885NOS1 164/4885

“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.