SCHEMBL5124053

SCHEMBL5124053

CCC(CC)C(c1ccc(NC(=O)N(S)c2nc3ccccc3s2)cc1)n1ccnc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP26A1 O43174 13/20 0.49
CYP3A4 P08684 3/20 0.49
CYP2C9 P11712 3/20 0.49
CYP2C8 P10632 2/20 0.49
CYP26B1 Q9NR63 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C19 P33261 1/20 0.49
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
MGLL Q99685 1/20 0.41
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
RAB9A P51151 1/20 0.38
KDM4E B2RXH2 1/20 0.38
CYP17A1 P05093 1/20 0.37

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
SCHEMBL4048032 0.79 CYP26A1 (0.46) CYP26A1CYP3A4CYP2C9CYP2C8CYP26B1
SCHEMBL5124051 0.79 CYP26A1 (0.56) CYP26A1CYP3A4CYP2C9CYP2C8CYP26B1
SCHEMBL4048034 0.78 CYP26A1 (0.49) CYP26A1CYP3A4CYP2C9CYP2C8CYP26B1
SCHEMBL4987125 0.78 CYP26A1 (0.73) CYP26A1CYP3A4CYP2C9CYP2C8CYP26B1
SCHEMBL5124047 0.76 CYP26A1 (0.51) CYP26A1CYP3A4CYP2C9CYP2C8CYP26B1
SCHEMBL14837761 0.74 CYP17A1 (0.49) CYP26A1MEN1KMT2ARAB9AKDM4E
SCHEMBL13720325 0.72 KDM4E (0.54) CYP26A1MEN1KMT2ANPC1ALDH1A1
SCHEMBL5566011 0.70 CYP17A1 (0.40) CYP26A1CYP3A4CYP17A1
SCHEMBL5566007 0.69 CYP17A1 (0.43) CYP26A1KDM4ECYP17A1
SCHEMBL14837690 0.68 CYP3A4 (0.42) CYP26A1CYP3A4CYP17A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 CYP26A1 28/4885CYP3A4 311/4885CYP2C9 335/4885
US-20050165018-A1 Retinoic acid mimetic anilides RXRA, RXRB, RXRG CYP26A1 27/4885CYP3A4 270/4885CYP2C9 286/4885
US-20080058334-A1 Retinoic Acid Mimetic Anilides RXRA, RXRB, RXRG CYP26A1 31/4885CYP3A4 285/4885CYP2C9 326/4885
US-20070105858-A1 RETINOIC ACID MIMETIC ANILIDES RXRA, RXRB, RXRG CYP26A1 27/4885CYP3A4 270/4885CYP2C9 286/4885

“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.