SCHEMBL1504061

SCHEMBL1504061

COC(=O)C(=O)Nc1ccc(Cl)cc1C(F)(F)F

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.61
CYP1A2 P05177 1/20 0.61
CYP2D6 P10635 1/20 0.61
CYP2C19 P33261 1/20 0.61
GPR35 Q9HC97 1/20 0.58
KDM4E B2RXH2 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.55
TP53 P04637 1/20 0.55
MAPT P10636 1/20 0.55
HTT P42858 2/20 0.52
ALDH1A1 P00352 4/20 0.50
NPC1 O15118 1/20 0.50
PAX8 Q06710 1/20 0.50
LMNA P02545 2/20 0.49
GAA P10253 2/20 0.49
TRPV1 Q8NER1 1/20 0.48
ATM Q13315 1/20 0.47
DHODH Q02127 1/20 0.47
TMPRSS4 Q9NRS4 1/20 0.44

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
SCHEMBL30680280 0.88 HTT (0.67) RAB9ACYP1A2CYP2D6CYP2C19GPR35
SCHEMBL23486518 0.88 HTT (0.67) RAB9ACYP1A2CYP2D6CYP2C19GPR35
SCHEMBL7328337 0.86 GPR35 (0.62) RAB9ACYP1A2CYP2D6CYP2C19GPR35
SCHEMBL12507522 0.86 RAB9A (0.62) RAB9ACYP1A2CYP2D6CYP2C19GPR35
SCHEMBL1503796 0.83 RAB9A (0.66) RAB9ACYP1A2CYP2D6CYP2C19GPR35
SCHEMBL1242300 0.82 GPR35 (0.51) RAB9ACYP1A2CYP2D6CYP2C19GPR35
SCHEMBL13809220 0.82 GPR35 (0.51) RAB9ACYP1A2CYP2D6CYP2C19GPR35
SCHEMBL7573311 0.81 RAB9A (0.68) RAB9ACYP1A2CYP2D6CYP2C19KDM4E
SCHEMBL7328333 0.81 RAB9A (0.59) RAB9ACYP1A2CYP2D6CYP2C19KDM4E
SCHEMBL1503921 0.80 KMT2A (0.55) RAB9AGPR35SMN1; SMN2MAPTHTT

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 46 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-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-20110077266-A1 Diamine Derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-03-31 US disclosed
US-20110077266-A1 Diamine Derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-03-31 US disclosed
CN-1751025-B Diamine derivatives DAIICHI SEIYAKU CO 2010-05-12 CN disclosed
US-20100099660-A1 METHOD FOR TREATING THROMBOSIS OR EMBOLISM AND RELATED DISEASES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2010-04-22 US disclosed
CN-1894238-A Diamine derivatives DAIICHI SEIYAKU CO (JP) 2007-01-10 CN 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-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 (7 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-20100099660-A1 METHOD FOR TREATING THROMBOSIS OR EMBOLISM AND RELATED DISEASES F2, PLAT, MPL RAB9A 1817/4885CYP1A2 1707/4885CYP2D6 577/4885
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 RAB9A 3368/4885CYP1A2 3257/4885CYP2D6 1295/4885
US-20050020645-A1 Diamine derivatives C9, C1S, C1R RAB9A 3294/4885CYP1A2 2631/4885CYP2D6 577/4885
US-20050245565-A1 Diamine derivatives C9, C1S, C1R RAB9A 3294/4885CYP1A2 2631/4885CYP2D6 577/4885
US-20050119486-A1 Diamine derivatives C9, C1S, C1R RAB9A 3294/4885CYP1A2 2631/4885CYP2D6 577/4885
US-20110077266-A1 Diamine Derivatives F2, TFPI, F3 RAB9A 2734/4885CYP1A2 2267/4885CYP2D6 1747/4885
US-20110312990-A1 Diamine Derivatives C9, C1S, C1R RAB9A 3496/4885CYP1A2 2535/4885CYP2D6 476/4885

“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.