SCHEMBL4140306

SCHEMBL4140306

Nc1cc(N2CCCCC2)cc(N)n1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 7/20 0.61
MEN1 O00255 2/20 0.48
ALDH1A1 P00352 2/20 0.48
GAA P10253 2/20 0.48
MAPT P10636 2/20 0.48
ALOX15 P16050 2/20 0.48
HTT P42858 2/20 0.48
KMT2A Q03164 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
KDM4E B2RXH2 1/20 0.48
NPC1 O15118 1/20 0.48
USP2 O75604 1/20 0.48
TP53 P04637 1/20 0.48
POLB P06746 1/20 0.48
THRB P10828 1/20 0.48
RECQL P46063 1/20 0.48
RAB9A P51151 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
HSD17B10 Q99714 1/20 0.48
NCF1 P14598 1/20 0.47

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
SCHEMBL5789028 0.86 HRH4 (0.57) HRH4MEN1ALDH1A1GAAMAPT
SCHEMBL1458548 0.77 HRH4 (0.61) HRH4MEN1ALDH1A1GAAALOX15
SCHEMBL11837825 0.77 ALDH1A1 (0.50) MEN1ALDH1A1GAAMAPTALOX15
SCHEMBL6262576 0.75 HRH4 (0.54) HRH4MEN1ALDH1A1GAAMAPT
SCHEMBL5847761 0.75 HRH4 (0.54) HRH4MEN1ALDH1A1GAAMAPT
SCHEMBL10377507 0.74 HRH4 (0.62) HRH4MEN1ALDH1A1GAAALOX15
SCHEMBL29563775 0.74 TERT (0.48) HRH4MEN1ALDH1A1GAAMAPT
SCHEMBL30296930 0.73 HRH4 (0.61) HRH4MEN1ALDH1A1GAAALOX15
SCHEMBL4120084 0.73 TERT (0.47) HRH4MEN1ALDH1A1GAAMAPT
SCHEMBL1097561 0.72 CHKA (0.52) HRH4MEN1ALDH1A1GAAMAPT

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 32 patents — showing the first 20. 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-1123082-A1 PREPARATIONS FOR TOPICAL APPLICATION OF SUBSTANCES HAVING ANTIANDROGENIC EFFECT Aventis Pharma Deutschland GmbH (DE) 2001-08-16 EP claimed
EP-0879052-B1 PREPARATIONS STIMULATING NAIL GROWTH AVENTIS PHARMA GMBH (DE) 2000-12-20 EP claimed
WO-2000024366-A1 PREPARATIONS FOR TOPICAL APPLICATION OF SUBSTANCES HAVING ANTIANDROGENIC EFFECT AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2000-05-04 WO 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
EP-0879052-A1 PREPARATIONS STIMULATING NAIL GROWTH HOECHST AKTIENGESELLSCHAFT (DE) 1998-11-25 EP claimed
WO-1997028790-A1 PREPARATIONS STIMULATING NAIL GROWTH HOECHST AKTIENGESELLSCHAFT (DE) 1997-08-14 WO 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
EP-0879052-A1 PREPARATIONS STIMULATING NAIL GROWTH HOECHST AKTIENGESELLSCHAFT (DE) 1998-11-25 EP disclosed
US-5801150-A Aminopyri(mi)dine derivatives combined with amino acids, and pharmacological activities thereof CAILLOT JEAN-LUC (FR) 1998-09-01 US disclosed
WO-1997028790-A1 PREPARATIONS STIMULATING NAIL GROWTH HOECHST AKTIENGESELLSCHAFT (DE) 1997-08-14 WO disclosed
WO-1992021317-A1 PYRIDINE 1-OXIDE BASED COMPOSITION FOR COMBATTING HAIR LOSS AND FOR INDUCING AND STIMULATING HAIR GROWTH L'OREAL (FR) 1992-12-10 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 (6 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 HRH4 4456/4885MEN1 1263/4885ALDH1A1 1374/4885
US-20090093487-A1 Compositions for topical application having androgenic actions NR5A1, CYP17A1, CYP19A1 HRH4 3495/4885MEN1 909/4885ALDH1A1 429/4885
US-20140142124-A1 Compositions for Topical Application Having Androgenic Actions NR5A1, CYP17A1, CYP19A1 HRH4 3495/4885MEN1 909/4885ALDH1A1 429/4885
US-20110065763-A1 Compositions for Topical Application Having Androgenic Actions NR5A1, CYP17A1, CYP19A1 HRH4 3495/4885MEN1 909/4885ALDH1A1 429/4885
US-20120277235-A1 Compositions For Topical Application Having Androgenic Actions NR5A1, CYP17A1, CYP19A1 HRH4 3342/4885MEN1 1024/4885ALDH1A1 423/4885
US-20050175647-A1 Compositions for topical application having androgenic actions NR5A1, CYP17A1, CYP19A1 HRH4 3495/4885MEN1 909/4885ALDH1A1 429/4885

“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.