SCHEMBL207528

SCHEMBL207528

O=C1N=CCCc2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 1/20 0.48
PDPK1 O15530 1/20 0.46
PARP1 P09874 1/20 0.46
PARP10 Q53GL7 1/20 0.46
PARP11 Q9NR21 1/20 0.46
MAOA P21397 2/20 0.44
CYP2A6 P11509 1/20 0.44
MAOB P27338 1/20 0.44
SRD5A1 P18405 1/20 0.40
CA12 O43570 1/20 0.39
CA9 Q16790 1/20 0.39
TYMS P04818 3/20 0.38
NOS3 P29474 1/20 0.37
NOS2 P35228 1/20 0.37
TDP2 O95551 1/20 0.37
CASP3 P42574 1/20 0.37
CASP7 P55210 1/20 0.37
CASP9 P55211 1/20 0.37
CASP6 P55212 1/20 0.37
CASP8 Q14790 1/20 0.37

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
SCHEMBL29824315 0.79 CA12 (0.42) CES1PDPK1PARP1PARP10PARP11
SCHEMBL57213 0.79 CA12 (0.42) CES1PDPK1PARP1PARP10PARP11
Hydrochloric Acid SCHEMBL2455497 0.78 CA12 (0.41) CES1PDPK1PARP1PARP10PARP11
Hydrochloric Acid SCHEMBL7005883 0.78 CA12 (0.41) CES1PDPK1PARP1PARP10PARP11
SCHEMBL3099042 0.78 CA12 (0.41) CES1PDPK1PARP1PARP10PARP11
SCHEMBL73596 0.71 CES1 (0.52) CES1PDPK1PARP1PARP10PARP11
SCHEMBL29369520 0.70 NOS3 (0.43) NOS3NOS2ALDH1A1
SCHEMBL497374 0.70 NOS3 (0.43) NOS3NOS2ALDH1A1
Acetamide SCHEMBL1668160 0.69 ALDH1A1 (0.38) CES1MAOACA12CA9NOS3
SCHEMBL519093 0.68 MAOA (0.53) CES1PDPK1PARP1PARP10PARP11

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-1826333-B Diamine derivatives DAIICHI SANKYO CO LTD 2012-12-26 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-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
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 CES1 619/4885PDPK1 4263/4885PARP1 1843/4885
US-20090270446-A1 DIAMINE DERIVATIVES F2, TFPI, F3 CES1 3057/4885PDPK1 1603/4885PARP1 372/4885
US-20100099660-A1 METHOD FOR TREATING THROMBOSIS OR EMBOLISM AND RELATED DISEASES F2, PLAT, MPL CES1 1651/4885PDPK1 652/4885PARP1 1365/4885
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 CES1 1029/4885PDPK1 3255/4885PARP1 1270/4885
US-20050020645-A1 Diamine derivatives C9, C1S, C1R CES1 1444/4885PDPK1 3133/4885PARP1 816/4885
US-20050245565-A1 Diamine derivatives C9, C1S, C1R CES1 1444/4885PDPK1 3133/4885PARP1 816/4885
US-20100093785-A1 DIAMINE DERIVATIVES C9, C1S, C1R CES1 1748/4885PDPK1 3225/4885PARP1 1019/4885
US-20090281074-A1 DRUG COMPOSITIONS AND METHODS FOR PREVENTING AND TREATING THROMBOSIS OR EMBOLISM C1R, C9, F2 CES1 1379/4885PDPK1 2926/4885PARP1 1009/4885
US-20050119486-A1 Diamine derivatives C9, C1S, C1R CES1 1444/4885PDPK1 3133/4885PARP1 816/4885
US-20110077266-A1 Diamine Derivatives F2, TFPI, F3 CES1 3057/4885PDPK1 1603/4885PARP1 372/4885
US-20110312990-A1 Diamine Derivatives C9, C1S, C1R CES1 1614/4885PDPK1 3248/4885PARP1 960/4885

“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.