SCHEMBL4048704

SCHEMBL4048704

CC(Cc1ccccc1)C(=O)Nc1ccc(C(C(C)C)n2ccnc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 2/20 0.56
MEN1 O00255 1/20 0.55
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
KMT2A Q03164 1/20 0.55
TP53 P04637 1/20 0.52
MAPT P10636 1/20 0.52
CYP26A1 O43174 5/20 0.52
KDM4E B2RXH2 1/20 0.51
MAPK1 P28482 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
CYP24A1 Q07973 1/20 0.47
CYP11B1 P15538 1/20 0.47
CYP11B2 P19099 1/20 0.47
ALDH1A1 P00352 1/20 0.46
CYP3A4 P08684 1/20 0.46
PKM P14618 1/20 0.43

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
SCHEMBL13720870 0.84 KDM4E (0.59) CYP17A1MEN1NPC1RAB9AKMT2A
SCHEMBL4046337 0.79 CYP17A1 (0.58) CYP17A1RAB9AKMT2ACYP26A1KDM4E
SCHEMBL4056699 0.78 CYP17A1 (0.57) CYP17A1KMT2ACYP26A1KDM4ECYP11B1
SCHEMBL6862688 0.76 EGFR (0.61) CYP17A1NPC1RAB9AMAPTCYP26A1
SCHEMBL5565561 0.76 EGFR (0.61) CYP17A1NPC1RAB9AMAPTCYP26A1
SCHEMBL26503521 0.76 KMT2A (0.76) MEN1NPC1RAB9AKMT2ATP53
SCHEMBL4046707 0.76 KDM4E (0.53) CYP17A1MEN1KMT2AMAPTCYP26A1
SCHEMBL1262178 0.75 CYP17A1 (0.55) CYP17A1MEN1NPC1RAB9AKMT2A
SCHEMBL4047302 0.75 EPHX1 (0.56) CYP17A1NPC1RAB9AMAPTCYP26A1
SCHEMBL1262179 0.75 CYP17A1 (0.55) CYP17A1MEN1NPC1RAB9AKMT2A

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 11 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

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 477/4885MEN1 4443/4885NPC1 1551/4885
US-20050165018-A1 Retinoic acid mimetic anilides RXRA, RXRB, RXRG CYP17A1 304/4885MEN1 3649/4885NPC1 1629/4885
US-20080058334-A1 Retinoic Acid Mimetic Anilides RXRA, RXRB, RXRG CYP17A1 317/4885MEN1 3705/4885NPC1 1690/4885
US-20070105858-A1 RETINOIC ACID MIMETIC ANILIDES RXRA, RXRB, RXRG CYP17A1 304/4885MEN1 3649/4885NPC1 1629/4885

“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.