SCHEMBL2636431

SCHEMBL2636431

NC(=O)C1CCN(c2ccc(NC(=O)c3ccc(C4CCCCC4)cc3)cc2)C1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.58
HDAC11 Q96DB2 2/20 0.58
HDAC8 Q9BY41 2/20 0.58
HDAC6 Q9UBN7 2/20 0.58
DEGS1 O15121 1/20 0.58
SMN1; SMN2 Q16637 3/20 0.49
ALOX15 P16050 2/20 0.49
USP2 O75604 2/20 0.49
HSD17B10 Q99714 1/20 0.49
NPC1 O15118 2/20 0.48
TP53 P04637 2/20 0.48
RAB9A P51151 2/20 0.48
MAPK1 P28482 1/20 0.48
HTT P42858 1/20 0.48
WDR91 A4D1P6 1/20 0.48
KDM1A O60341 6/20 0.47
MAOA P21397 6/20 0.47
KDM1B Q8NB78 6/20 0.47
RCOR1 Q9UKL0 6/20 0.47
MAOB P27338 4/20 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
SCHEMBL2636659 0.85 MCHR1 (0.52) HDAC3HDAC11HDAC8HDAC6DEGS1
SCHEMBL2636432 0.84 HDAC3 (0.57) HDAC3HDAC11HDAC8HDAC6DEGS1
SCHEMBL1749356 0.83 MCHR1 (0.70) HDAC3HDAC11HDAC8HDAC6DEGS1
SCHEMBL1749354 0.83 MCHR1 (0.70) HDAC3HDAC11HDAC8HDAC6DEGS1
SCHEMBL12529199 0.82 MCHR1 (0.70) HDAC3HDAC11HDAC8HDAC6DEGS1
SCHEMBL14113483 0.81 KDM1A (0.67) HDAC3HDAC11HDAC8HDAC6DEGS1
SCHEMBL1750064 0.80 MCHR1 (0.71) HDAC3HDAC11HDAC8HDAC6DEGS1
SCHEMBL1750063 0.79 MCHR1 (0.53) HDAC3HDAC11HDAC8HDAC6DEGS1
SCHEMBL12529486 0.79 HDAC3 (0.53) HDAC3HDAC11HDAC8HDAC6DEGS1
SCHEMBL12529484 0.76 MCHR1 (0.58) HDAC3HDAC11HDAC8HDAC6DEGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7968550-B2 Substituted N-aryl heterocycles, process for their preparation and their use as medicaments AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2011-06-28 US disclosed
US-20070207991-A1 Substituted N-aryl Heterocycles, Process For Their Preparation and Their Use As Medicaments SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-09-06 US disclosed
US-7223788-B2 therapy for eating disorders, anorexigenic agents, antidiabetic agents, reducing weight in mammals, circadian rhythm disease, psychological disorders SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-05-29 US disclosed
EP-1597228-A2 SUBSTITUTED N-ARYLHETEROCYCLES, METHOD FOR PRODUCTION AND USE THEREOF AS MEDICAMENTS Sanofi-Aventis Deutschland GmbH (DE) 2005-11-23 EP disclosed
US-20040220191-A1 Substituted N-aryl heterocycles, process for their preparation and their use as medicaments AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-11-04 US disclosed
WO-2004072025-A2 SUBSTITUTED N-ARYLHETEROCYCLES, METHOD FOR PRODUCTION AND USE THEREOF AS MEDICAMENTS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-08-26 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 (2 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-20040220191-A1 Substituted N-aryl heterocycles, process for their preparation and their use as medicaments CYP11B2, CYP11B1, CYP1A1 HDAC3 2372/4885HDAC11 2569/4885HDAC8 3207/4885
US-20070207991-A1 Substituted N-aryl Heterocycles, Process For Their Preparation and Their Use As Medicaments CYP11B2, CYP11B1, NQO1 HDAC3 2248/4885HDAC11 2877/4885HDAC8 3215/4885

“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.