SCHEMBL4046337

SCHEMBL4046337

CC(=O)Nc1ccc(C(C(C)C)n2ccnc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 3/20 0.58
CYP26A1 O43174 6/20 0.53
KMT2A Q03164 2/20 0.51
KDM4E B2RXH2 1/20 0.49
CYP11B1 P15538 2/20 0.48
CYP11B2 P19099 2/20 0.48
TBXAS1 P24557 1/20 0.45
RAB9A P51151 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
TSHR P16473 1/20 0.42
CYP19A1 P11511 1/20 0.42

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
SCHEMBL4056699 0.88 CYP17A1 (0.57) CYP17A1CYP26A1KMT2AKDM4ECYP11B1
SCHEMBL14837761 0.85 CYP17A1 (0.49) CYP17A1CYP26A1KMT2AKDM4ETBXAS1
SCHEMBL4056245 0.84 CYP17A1 (0.53) CYP17A1CYP26A1KMT2AKDM4ECYP11B1
SCHEMBL4046842 0.82 CYP17A1 (0.57) CYP17A1CYP26A1KMT2AKDM4ECYP11B1
SCHEMBL14837669 0.81 CYP26A1 (0.53) CYP17A1CYP26A1KMT2AKDM4ETBXAS1
SCHEMBL4046707 0.80 KDM4E (0.53) CYP17A1CYP26A1KMT2AKDM4ECYP11B1
SCHEMBL13720870 0.80 KDM4E (0.59) CYP17A1CYP26A1KMT2AKDM4ECYP11B1
SCHEMBL1262179 0.80 CYP17A1 (0.55) CYP17A1CYP26A1KMT2AKDM4ECYP11B1
SCHEMBL1262178 0.80 CYP17A1 (0.55) CYP17A1CYP26A1KMT2AKDM4ECYP11B1
SCHEMBL4054909 0.80 LMNA (0.54) CYP17A1CYP26A1KMT2AKDM4ECYP11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7579352-B2 Retinoic acid mimetic anilides JANSSEN PHARMACEUTICA N.V. (BE) 2009-08-25 US disclosed
US-20080058334-A1 Retinoic Acid Mimetic Anilides MABIRE DOMINIQUE 2008-03-06 US disclosed
US-20070105858-A1 RETINOIC ACID MIMETIC ANILIDES MABIRE DOMINIQUE 2007-05-10 US disclosed
US-7179825-B2 Retinoic acid mimetic anilides JANSSEN PHARMACEUTICA N.V. (BE) 2007-02-20 US disclosed
US-6936626-B2 Retinoic acid mimetic anilides JANSSEN PHARMACEUTICA N.V. (BE) 2005-08-30 US disclosed
US-20050165018-A1 Retinoic acid mimetic anilides MABIRE DOMINIQUE (FR) 2005-07-28 US disclosed
EP-1037880-B1 RETINOIC ACID MIMETIC ANILIDES JANSSEN PHARMACEUTICA NV (BE) 2004-06-30 EP disclosed
US-20020115653-A1 Retinoic acid mimetic anilides MABIRE DOMINIQUE (FR) 2002-08-22 US disclosed
US-6319939-B1 P-(HETEROCYCLIC METHYL)-SUBSTUTED ANILIDES ARE POTENT INHIBITORS OF THE RETINOIC ACID METABOLISM JANSSEN PHARMACEUTICA N.V. (BE) 2001-11-20 US disclosed
EP-1037880-A1 RETINOIC ACID MIMETIC ANILIDES JANSSEN PHARMACEUTICA N.V. (BE) 2000-09-27 EP disclosed
WO-1999029674-A1 RETINOIC ACID MIMETIC ANILIDES JANSSEN PHARMACEUTICA N.V. (BE) 1999-06-17 WO disclosed
CN-1020903-C (1H-IMIDAZOL-1-YLMETHYL) SUBSTITUTED BENZIMIDAZOLE DERIVATIVES AND THE PREPARATION THEREFOR JANSSEN PHARMACEUTICA NV (BE) 1993-05-26 CN disclosed
US-4859684-A (1H-imidazol-1-ylmethyl) substituted benzimidazole derivatives and use thereof in treating androgen dependent disorders JANSSEN PHARMACEUTICA N.V. (BE) 1989-08-22 US disclosed
CN-87106423-A Novel (1H-imidazol-1-ylmethyl) substituted benzimidazole derivatives and process for their preparation 1988-04-20 CN disclosed
EP-0260744-A2 (1H-imidazol-1-ylmethyl) substituted benzimidazole derivatives JANSSEN PHARMACEUTICA N.V. (BE) 1988-03-23 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 (4 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-20020115653-A1 Retinoic acid mimetic anilides RXRA, RXRB, RXRG CYP17A1 477/4885CYP26A1 28/4885KMT2A 2932/4885
US-20050165018-A1 Retinoic acid mimetic anilides RXRA, RXRB, RXRG CYP17A1 304/4885CYP26A1 27/4885KMT2A 3958/4885
US-20080058334-A1 Retinoic Acid Mimetic Anilides RXRA, RXRB, RXRG CYP17A1 317/4885CYP26A1 31/4885KMT2A 3811/4885
US-20070105858-A1 RETINOIC ACID MIMETIC ANILIDES RXRA, RXRB, RXRG CYP17A1 304/4885CYP26A1 27/4885KMT2A 3958/4885

“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.