SCHEMBL208453

SCHEMBL208453

COC(=O)C(=O)Nc1ccc(Cl)s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 2/20 0.44
HSD17B10 Q99714 2/20 0.42
GAA P10253 1/20 0.42
PKM P14618 1/20 0.42
ALOX15 P16050 1/20 0.42
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
POLB P06746 1/20 0.38
KDM4E B2RXH2 1/20 0.38
TSHR P16473 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
FPR1 P21462 2/20 0.37
FPR2 P25090 2/20 0.37
CYP3A4 P08684 1/20 0.37
F2 P00734 1/20 0.37
DAO P14920 1/20 0.37
F10 P00742 1/20 0.36
CNR1 P21554 1/20 0.36
HPGD P15428 3/20 0.36

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
SCHEMBL208477 0.80 NPC1 (0.53) GPR35HSD17B10GAAPKMALOX15
SCHEMBL14496948 0.79 GPR35 (0.46) GPR35HSD17B10GAAPKMALOX15
SCHEMBL210529 0.78 GPR35 (0.44) GPR35HSD17B10GAAPKMALOX15
SCHEMBL248655 0.77 HSD17B10 (0.72) HSD17B10GAAPKMALOX15KDM4E
Lithium Ion SCHEMBL210530 0.76 GAA (0.39) GPR35HSD17B10GAAPKMALOX15
SCHEMBL27973248 0.75 GAA (0.45) HSD17B10GAAPKMALOX15KMT2A
SCHEMBL4954917 0.75 DAO (0.48) HSD17B10GAAPKMALOX15KMT2A
SCHEMBL1504066 0.72 ATR (0.43) HSD17B10GAAPKMALOX15POLB
SCHEMBL28834369 0.71 FPR1 (0.36) HSD17B10GAAPKMALOX15KMT2A
SCHEMBL5246228 0.71 ALOX15 (0.39) HSD17B10GAAPKMALOX15KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1405852-B9 DIAMINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2013-03-27 EP disclosed
EP-1864982-B1 TRIAMINE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2012-10-24 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-8088796-B2 Triamine derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-01-03 US 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
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
EP-2343290-A1 Diamine derivatives as factor X inhibitors Daiichi Sankyo Company, Limited (JP) 2011-07-13 EP 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
CN-1826333-A Diamine derivatives DAIICHI SEIYAKU CO (JP) 2006-08-30 CN disclosed
CN-1751025-A Diamine derivatives DAIICHI SEIYAKU CO (JP) 2006-03-22 CN disclosed
US-20050245565-A1 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-11-03 US disclosed
EP-1577302-A1 NOVEL ETHYLENEDIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-09-21 EP 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 (5 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 GPR35 2800/4885HSD17B10 1663/4885GAA 4757/4885
US-20050020645-A1 Diamine derivatives C9, C1S, C1R GPR35 2534/4885HSD17B10 1377/4885GAA 4788/4885
US-20050245565-A1 Diamine derivatives C9, C1S, C1R GPR35 2534/4885HSD17B10 1377/4885GAA 4788/4885
US-20050119486-A1 Diamine derivatives C9, C1S, C1R GPR35 2534/4885HSD17B10 1377/4885GAA 4788/4885
US-20110312990-A1 Diamine Derivatives C9, C1S, C1R GPR35 2475/4885HSD17B10 1326/4885GAA 4829/4885

“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.