SCHEMBL4139670

SCHEMBL4139670

CCCCOc1nc(N)[n+]([O-])c(N)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 3/20 0.40
CCNB1 P14635 3/20 0.40
CCNA2 P20248 2/20 0.40
CDK2 P24941 2/20 0.40
CCNA1 P78396 2/20 0.40
PIN1 Q13526 1/20 0.40
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
MCHR1 Q99705 1/20 0.37
TLR8 Q9NR97 1/20 0.37
RAB9A P51151 2/20 0.37
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
TSHR P16473 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36

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
SCHEMBL598441 0.77 CYP2D6 (0.43) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL808604 0.76 CDK1 (0.47) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL6402618 0.76 TLR8 (0.37) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL8689288 0.75 MEN1 (0.38) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL6398172 0.74 CDK1 (0.40) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL7637855 0.72 MEN1 (0.36) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL899058 0.71 NR5A1 (0.43) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL27490484 0.71 MAPK8 (0.32) NPC1CA12CA1CA2TSHR
SCHEMBL6401579 0.70 TLR8 (0.40) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL6397725 0.70 TLR8 (0.40) CDK1CCNB1CCNA2CDK2CCNA1

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140142124-A1 Compositions for Topical Application Having Androgenic Actions AVENTIS PHARMA SA (DE) 2014-05-22 US claimed
US-20120277235-A1 Compositions For Topical Application Having Androgenic Actions AVENTIS PHARMA S.A 2012-11-01 US claimed
US-20090093487-A1 Compositions for topical application having androgenic actions AVENTIS PHARMA S.A. 2009-04-09 US claimed
EP-1123082-B1 PREPARATIONS FOR TOPICAL APPLICATION OF SUBSTANCES HAVING ANTIANDROGENIC EFFECT AVENTIS PHARMA SA (FR) 2006-03-01 EP claimed
US-20050175647-A1 Compositions for topical application having androgenic actions AVENTIS PHARMA DEUTSCHLAND GMBH. 2005-08-11 US claimed
US-20030083322-A1 COMPOSITIONS FOR TOPICAL APPLICATION HAVING ANDREGENIC ACTIONS AVENTIS PHARMA S.A. (FR) 2003-05-01 US claimed
EP-0879052-B1 PREPARATIONS STIMULATING NAIL GROWTH AVENTIS PHARMA GMBH (DE) 2000-12-20 EP claimed
US-6007798-A TOPICAL VARNISH COMPRISING A VASODILATOR COMPOUND IN WATER INSOLUBLE FILM-FORMING RESIN; FUNGICIDES, PROPHYLAXIS HOECHST AKTIENGESELLSCHAFT (DE) 1999-12-28 US claimed
US-20140142124-A1 Compositions for Topical Application Having Androgenic Actions AVENTIS PHARMA SA (DE) 2014-05-22 US disclosed
US-20120277235-A1 Compositions For Topical Application Having Androgenic Actions AVENTIS PHARMA S.A 2012-11-01 US disclosed
US-20110065763-A1 Compositions for Topical Application Having Androgenic Actions AVENTIS PHARMA S.A 2011-03-17 US disclosed
US-20090093487-A1 Compositions for topical application having androgenic actions AVENTIS PHARMA S.A. 2009-04-09 US disclosed
US-20050175647-A1 Compositions for topical application having androgenic actions AVENTIS PHARMA DEUTSCHLAND GMBH. 2005-08-11 US disclosed
US-6875438-B2 Preparations for topical administration of substances having antiandrogenic activity AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-04-05 US disclosed
US-20030229129-A1 Preparations for topical administration of substances having antiandrogenic activity AVENTIS PHARMA S.A. (FR) 2003-12-11 US disclosed
US-20030083322-A1 COMPOSITIONS FOR TOPICAL APPLICATION HAVING ANDREGENIC ACTIONS AVENTIS PHARMA S.A. (FR) 2003-05-01 US disclosed
US-6007798-A TOPICAL VARNISH COMPRISING A VASODILATOR COMPOUND IN WATER INSOLUBLE FILM-FORMING RESIN; FUNGICIDES, PROPHYLAXIS HOECHST AKTIENGESELLSCHAFT (DE) 1999-12-28 US 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-20030083322-A1 COMPOSITIONS FOR TOPICAL APPLICATION HAVING ANDREGENIC ACTIONS NR5A1, CYP17A1, CYP19A1 CDK1 3335/4885CCNB1 2584/4885CCNA2 1860/4885
US-20030229129-A1 Preparations for topical administration of substances having antiandrogenic activity NR5A1, CYP17A1, HSD17B11 CDK1 1326/4885CCNB1 456/4885CCNA2 1029/4885
US-20090093487-A1 Compositions for topical application having androgenic actions NR5A1, CYP17A1, CYP19A1 CDK1 3300/4885CCNB1 2611/4885CCNA2 2060/4885
US-20140142124-A1 Compositions for Topical Application Having Androgenic Actions NR5A1, CYP17A1, CYP19A1 CDK1 3300/4885CCNB1 2611/4885CCNA2 2060/4885
US-20110065763-A1 Compositions for Topical Application Having Androgenic Actions NR5A1, CYP17A1, CYP19A1 CDK1 3300/4885CCNB1 2611/4885CCNA2 2060/4885
US-20120277235-A1 Compositions For Topical Application Having Androgenic Actions NR5A1, CYP17A1, CYP19A1 CDK1 3376/4885CCNB1 2613/4885CCNA2 1853/4885
US-20050175647-A1 Compositions for topical application having androgenic actions NR5A1, CYP17A1, CYP19A1 CDK1 3300/4885CCNB1 2611/4885CCNA2 2060/4885

“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.