SCHEMBL3306728

SCHEMBL3306728

COC(=O)c1scc(CBr)c1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.41
KDM4E B2RXH2 5/20 0.41
CYP1A2 P05177 3/20 0.38
CYP3A4 P08684 2/20 0.38
HTR1A P08908 1/20 0.38
SCN1A P35498 1/20 0.38
SCN2A Q99250 1/20 0.38
SCN3A Q9NY46 1/20 0.38
MAPT P10636 3/20 0.36
NPC1 O15118 1/20 0.36
CASP3 P42574 1/20 0.36
RAB9A P51151 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
GAA P10253 1/20 0.36
MEN1 O00255 3/20 0.36
POLB P06746 3/20 0.36
CYP2C19 P33261 1/20 0.36
PKM P14618 1/20 0.35

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
SCHEMBL27472593 0.87 KMT2A (0.40) KMT2AKDM4ECYP1A2CYP3A4HTR1A
SCHEMBL6591889 0.85 KMT2A (0.39) KMT2AKDM4ECYP1A2CYP3A4HTR1A
SCHEMBL6587977 0.85 KMT2A (0.39) KMT2AKDM4ECYP1A2CYP3A4HTR1A
SCHEMBL27595508 0.83 F10 (0.42) KMT2AKDM4ECYP1A2CYP3A4HTR1A
SCHEMBL6595088 0.81 KDM4E (0.40) KMT2AKDM4ECYP1A2CYP3A4HTR1A
SCHEMBL31729716 0.80 KDM4E (0.41) KMT2AKDM4ECYP1A2CYP3A4HTR1A
SCHEMBL6587446 0.80 CYP2A6 (0.37) KMT2AKDM4ECYP1A2CYP3A4HTR1A
SCHEMBL6593708 0.80 F10 (0.38) KMT2AKDM4ECYP1A2CYP3A4HTR1A
SCHEMBL14793829 0.79 ESR1 (0.43) KDM4ECYP1A2CYP3A4MAPTNPC1
SCHEMBL15537166 0.79 MAPT (0.42) KMT2AKDM4ECYP1A2CYP3A4HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1577301-B1 Antithrombotic diaminocyclohexane derivatives DAIICHI SANKYO CO LTD (JP) 2012-09-12 EP 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
US-20100099660-A1 METHOD FOR TREATING THROMBOSIS OR EMBOLISM AND RELATED DISEASES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2010-04-22 US disclosed
US-20090281074-A1 DRUG COMPOSITIONS AND METHODS FOR PREVENTING AND TREATING THROMBOSIS OR EMBOLISM DAIICHI PHARMACEUTICAL CO., LTD (JP) 2009-11-12 US disclosed
US-20090281074-A1 DRUG COMPOSITIONS AND METHODS FOR PREVENTING AND TREATING THROMBOSIS OR EMBOLISM DAIICHI PHARMACEUTICAL CO., LTD (JP) 2009-11-12 US disclosed
US-20090281074-A1 DRUG COMPOSITIONS AND METHODS FOR PREVENTING AND TREATING THROMBOSIS OR EMBOLISM DAIICHI PHARMACEUTICAL CO., LTD (JP) 2009-11-12 US disclosed
US-7576135-B2 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-08-18 US disclosed
US-7576135-B2 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-08-18 US disclosed
US-7576135-B2 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-08-18 US disclosed
EP-1577301-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-09-21 EP disclosed
EP-1577302-A1 NOVEL ETHYLENEDIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-09-21 EP disclosed
EP-1485356-A1 NON-PEPTIDE GnRH ANTAGONISTS Ferring BV (NL) 2004-12-15 EP disclosed
EP-1040108-B1 ORTHO-ANTHRANILAMIDE DERIVATIVES AS ANTI-COAGULANTS SCHERING AG (DE) 2004-02-25 EP disclosed
WO-2003078398-A1 NON-PEPTIDE GnRH ANTAGONISTS FERRING BV (NL) 2003-09-25 WO disclosed
US-6498185-B1 ENZYME FACTOR XA INHIBITORS BERLEX LABORATORIES, INC. 2002-12-24 US disclosed
US-6380221-B1 FOR THERAPY OF DISEASE-STATES CHARACTERIZED BY THROMBOTIC ACTIVITY BERLEX LABORATORIES, INC. 2002-04-30 US disclosed
US-6140351-A FOR TREATING THROMBOSIS BERLEX LABORATORIES, INC. (US) 2000-10-31 US disclosed
EP-1040108-A1 ORTHO-ANTHRANILAMIDE DERIVATIVES AS ANTI-COAGULANTS SCHERING AKTIENGESELLSCHAFT (DE) 2000-10-04 EP disclosed
WO-1999032477-A1 ORTHO-ANTHRANILAMIDE DERIVATIVES AS ANTI-COAGULANTS SCHERING AKTIENGESELLSCHAFT (DE) 1999-07-01 WO 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 (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-20100099660-A1 METHOD FOR TREATING THROMBOSIS OR EMBOLISM AND RELATED DISEASES F2, PLAT, MPL KMT2A 2546/4885KDM4E 4615/4885CYP1A2 1707/4885
US-20090281074-A1 DRUG COMPOSITIONS AND METHODS FOR PREVENTING AND TREATING THROMBOSIS OR EMBOLISM C1R, C9, F2 KMT2A 3693/4885KDM4E 4080/4885CYP1A2 1627/4885

“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.