SCHEMBL13618989

SCHEMBL13618989

CCOC(=O)c1nc(N=[N+]=[N-])c(C=O)s1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.37
CYP1A2 P05177 2/20 0.37
GAA P10253 3/20 0.35
KMT2A Q03164 2/20 0.35
HSD17B10 Q99714 1/20 0.35
FNTA P49354 1/20 0.34
FNTB P49356 1/20 0.34
KDM4E B2RXH2 2/20 0.33
HPGD P15428 4/20 0.33
MEN1 O00255 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
MAPT P10636 2/20 0.33
LMNA P02545 2/20 0.32
NPC1 O15118 1/20 0.32
PTGS2 P35354 1/20 0.32
PPARG P37231 1/20 0.32
NCOA2 Q15596 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
TSHR P16473 1/20 0.31

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
SCHEMBL1504558 0.75 ALDH1A1 (0.42) ALDH1A1CYP1A2GAAKMT2AKDM4E
SCHEMBL13477989 0.67 HPGD (0.55) ALDH1A1CYP1A2KMT2AHSD17B10KDM4E
SCHEMBL23291972 0.66 ALDH1A1 (0.47) ALDH1A1CYP1A2GAAKMT2AHSD17B10
SCHEMBL1503950 0.64 ALDH1A1 (0.45) ALDH1A1CYP1A2GAAHSD17B10KDM4E
SCHEMBL3123038 0.63 ALDH1A1 (0.49) ALDH1A1CYP1A2GAAKMT2AHSD17B10
SCHEMBL27601688 0.63 TSHR (0.40) ALDH1A1GAAKMT2AHSD17B10FNTA
SCHEMBL15149783 0.62 TRPM8 (0.44) ALDH1A1CYP1A2GAAKMT2AKDM4E
SCHEMBL14347621 0.62 CDC7 (0.42) ALDH1A1CYP1A2GAAKMT2AHSD17B10
SCHEMBL23796226 0.62 ALDH1A1 (0.35) ALDH1A1CYP1A2GAAKMT2AHSD17B10
SCHEMBL15235888 0.62 CDC7 (0.43) ALDH1A1CYP1A2GAAKMT2AHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110312990-A1 Diamine Derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-12-22 US 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-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-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-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
US-20090270446-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-10-29 US disclosed
US-7576135-B2 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-08-18 US disclosed
US-7365205-B2 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 SANKYO COMPANY, LIMITED (JP) 2008-04-29 US disclosed
US-7365205-B2 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 SANKYO COMPANY, LIMITED (JP) 2008-04-29 US disclosed
US-7342014-B2 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-03-11 US disclosed
US-7342014-B2 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-03-11 US disclosed
US-20080015215-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-01-17 US disclosed
US-20080015215-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-01-17 US disclosed
US-20070129371-A1 Novel ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-06-07 US disclosed
US-20070129371-A1 Novel ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-06-07 US disclosed
CN-1745071-A Novel ethylenediamine derivative DAIICHI SEIYAKU CO (JP) 2006-03-08 CN 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 (8 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 ALDH1A1 4310/4885CYP1A2 3302/4885GAA 4796/4885
US-20090270446-A1 DIAMINE DERIVATIVES F2, TFPI, F3 ALDH1A1 793/4885CYP1A2 2267/4885GAA 2113/4885
US-20100099660-A1 METHOD FOR TREATING THROMBOSIS OR EMBOLISM AND RELATED DISEASES F2, PLAT, MPL ALDH1A1 3214/4885CYP1A2 1707/4885GAA 1144/4885
US-20080015215-A1 DIAMINE DERIVATIVES C9, C1S, C1R ALDH1A1 3319/4885CYP1A2 2631/4885GAA 4788/4885
US-20100093785-A1 DIAMINE DERIVATIVES C9, C1S, C1R ALDH1A1 3529/4885CYP1A2 2520/4885GAA 4849/4885
US-20090281074-A1 DRUG COMPOSITIONS AND METHODS FOR PREVENTING AND TREATING THROMBOSIS OR EMBOLISM C1R, C9, F2 ALDH1A1 3454/4885CYP1A2 1627/4885GAA 4486/4885
US-20110077266-A1 Diamine Derivatives F2, TFPI, F3 ALDH1A1 793/4885CYP1A2 2267/4885GAA 2113/4885
US-20110312990-A1 Diamine Derivatives C9, C1S, C1R ALDH1A1 3734/4885CYP1A2 2535/4885GAA 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.