SCHEMBL208788

SCHEMBL208788

NC(=O)c1ccccc1-c1cc[c]cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 1/20 0.71
KDM4E B2RXH2 2/20 0.45
TSHR P16473 2/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
HSD17B10 Q99714 1/20 0.45
KEAP1 Q14145 1/20 0.44
NFE2L2 Q16236 1/20 0.44
CHEK1 O14757 1/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
CSNK1A1 P48729 1/20 0.44
TYRO3 Q06418 1/20 0.44
DYRK1B Q9Y463 1/20 0.44
METAP2 P50579 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CHRNB2 P17787 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
SCHEMBL5878337 0.86 BCAT2 (0.87) BCAT2KDM4ETSHRALDH1A1MAPT
SCHEMBL30582476 0.84 BCAT2 (0.83) BCAT2KDM4ETSHRALDH1A1MAPT
SCHEMBL16149659 0.84 BCAT2 (0.91) BCAT2KDM4ETSHRALDH1A1MAPT
SCHEMBL29427545 0.84 BCAT2 (1.00) BCAT2KDM4ETSHRALDH1A1MAPT
SCHEMBL132986 0.84 BCAT2 (1.00) BCAT2KDM4ETSHRALDH1A1MAPT
SCHEMBL298628 0.82 HNF4A (0.53) BCAT2KDM4ETSHRALDH1A1HPGD
Urea SCHEMBL28572437 0.82 BCAT2 (0.96) BCAT2KDM4ETSHRALDH1A1MAPT
Hydrochloric Acid SCHEMBL1785690 0.82 BCAT2 (0.96) BCAT2KDM4ETSHRALDH1A1MAPT
Hydrochloric Acid SCHEMBL5180095 0.82 BCAT2 (0.96) BCAT2KDM4ETSHRALDH1A1MAPT
Hydrochloric Acid SCHEMBL27487444 0.82 BCAT2 (0.96) BCAT2KDM4ETSHRALDH1A1MAPT

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-1925611-B1 OPTICALLY ACTIVE DIAMINE DERIVATIVE AND PROCESS FOR PRODUCING THE SAME DAIICHI SANKYO CO LTD (JP) 2016-04-13 EP disclosed
CN-103214414-B The diamine derivative of opticity and manufacture method thereof SANKYO CO. (JP) 2016-02-17 CN 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
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-20100099660-A1 METHOD FOR TREATING THROMBOSIS OR EMBOLISM AND RELATED DISEASES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2010-04-22 US disclosed
US-20100093785-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2010-04-15 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-20090270446-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-10-29 US disclosed
EP-1864982-A1 TRIAMINE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-12-12 EP disclosed
US-20070129371-A1 Novel ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-06-07 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-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 (11 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-20070129371-A1 Novel ethylenediamine derivatives C1R, C9, C1S BCAT2 2009/4885KDM4E 3425/4885TSHR 126/4885
US-20090270446-A1 DIAMINE DERIVATIVES F2, TFPI, F3 BCAT2 447/4885KDM4E 588/4885TSHR 1514/4885
US-20100099660-A1 METHOD FOR TREATING THROMBOSIS OR EMBOLISM AND RELATED DISEASES F2, PLAT, MPL BCAT2 331/4885KDM4E 4615/4885TSHR 312/4885
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 BCAT2 1261/4885KDM4E 3761/4885TSHR 299/4885
US-20050020645-A1 Diamine derivatives C9, C1S, C1R BCAT2 915/4885KDM4E 3971/4885TSHR 516/4885
US-20050245565-A1 Diamine derivatives C9, C1S, C1R BCAT2 915/4885KDM4E 3971/4885TSHR 516/4885
US-20100093785-A1 DIAMINE DERIVATIVES C9, C1S, C1R BCAT2 1189/4885KDM4E 3773/4885TSHR 456/4885
US-20090281074-A1 DRUG COMPOSITIONS AND METHODS FOR PREVENTING AND TREATING THROMBOSIS OR EMBOLISM C1R, C9, F2 BCAT2 1127/4885KDM4E 4080/4885TSHR 186/4885
US-20050119486-A1 Diamine derivatives C9, C1S, C1R BCAT2 915/4885KDM4E 3971/4885TSHR 516/4885
US-20110077266-A1 Diamine Derivatives F2, TFPI, F3 BCAT2 447/4885KDM4E 588/4885TSHR 1514/4885
US-20110312990-A1 Diamine Derivatives C9, C1S, C1R BCAT2 1100/4885KDM4E 3759/4885TSHR 411/4885

“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.