SCHEMBL4047302

SCHEMBL4047302

CC(C)C(c1ccc(NC(=S)NC(=O)c2ccccc2)cc1)n1ccnc1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 5/20 0.56
CYP17A1 P05093 1/20 0.55
ALDH1A1 P00352 4/20 0.52
LMNA P02545 2/20 0.52
HPGD P15428 1/20 0.52
MAPK1 P28482 1/20 0.52
CYP26A1 O43174 2/20 0.51
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
KDM4E B2RXH2 1/20 0.47
MAPT P10636 1/20 0.47
CYP11B1 P15538 1/20 0.47
CYP11B2 P19099 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
SCHEMBL4046842 0.79 CYP17A1 (0.57) CYP17A1CYP26A1KDM4ECYP11B1CYP11B2
SCHEMBL5565076 0.78 CYP17A1 (0.54) CYP17A1CYP26A1KDM4ECYP11B1CYP11B2
SCHEMBL4046337 0.78 CYP17A1 (0.58) CYP17A1CYP26A1RAB9AKDM4ECYP11B1
SCHEMBL13720870 0.77 KDM4E (0.59) CYP17A1ALDH1A1CYP26A1NPC1RAB9A
SCHEMBL5565561 0.75 EGFR (0.61) CYP17A1CYP26A1NPC1RAB9AKDM4E
SCHEMBL4048704 0.75 CYP17A1 (0.56) CYP17A1ALDH1A1MAPK1CYP26A1NPC1
SCHEMBL1262178 0.74 CYP17A1 (0.55) CYP17A1ALDH1A1HPGDMAPK1CYP26A1
SCHEMBL4056245 0.74 CYP17A1 (0.53) CYP17A1MAPK1CYP26A1NPC1RAB9A
SCHEMBL6362302 0.74 CYP17A1 (0.54) CYP17A1CYP26A1KDM4ECYP11B1CYP11B2
SCHEMBL5457898 0.73 ALDH1A1 (0.81) EPHX1ALDH1A1LMNANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070105858-A1 RETINOIC ACID MIMETIC ANILIDES MABIRE DOMINIQUE 2007-05-10 US claimed
EP-1037880-B1 RETINOIC ACID MIMETIC ANILIDES JANSSEN PHARMACEUTICA NV (BE) 2004-06-30 EP claimed
US-7579352-B2 Retinoic acid mimetic anilides JANSSEN PHARMACEUTICA N.V. (BE) 2009-08-25 US disclosed
US-7378433-B2 N-[4-(heteroarylmethyl)phenyl]-heteroarylamines JANSSEN PHARMACEUTICA, N.V. (BE) 2008-05-27 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-20070088062-A1 N-[4-(heteroarylmethyl)phenyl]-heteroarylamines JANSSEN PHARMACEUTICA, N.V. 2007-04-19 US disclosed
US-7205312-B2 N-[4-(heteroarylmethyl)phenyl]-heteroarylamines JANSSEN PHARMACEUTICA, N.V. (BE) 2007-04-17 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-20050113378-A1 N-[4-(heteroarylmethyl)phenyl]-heteroarylamines JANSSEN PHARMACEUTICA, N.V. 2005-05-26 US disclosed
US-6833375-B2 As inhibitors of the retinoic acid-metabolism, as drugs JANSSEN PHARMACEUTICA, N.V. (BE) 2004-12-21 US disclosed
EP-1037880-B1 RETINOIC ACID MIMETIC ANILIDES JANSSEN PHARMACEUTICA NV (BE) 2004-06-30 EP disclosed
US-20030176419-A1 N-[4-(heteroarylmethyl)phenyl]-heteroarylamines VENET MARC GASTON (FR) 2003-09-18 US disclosed
EP-0907650-B1 N- 4-(HETEROARYLMETHYL)PHENYL]-HETEROARYLAMINES JANSSEN PHARMACEUTICA NV (BE) 2002-12-04 EP disclosed
US-6486187-B1 N-[4-(heteroarylmethyl)phenyl]-heteroarylamines JANSSEN PHARMACEUTICA N.V. (BE) 2002-11-26 US 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
US-6124330-A A RETINOIC MIMETIC COMPOUND FOR TREATING A WARM-BLOODED ANIMAL SUFFERING FROM A DISEASE BY AN ABNORMAL PROLIFERATION AND/OR ABNORMAL DIFFERENTIATION OF NORMAL, PRENEOPLASTIC OR NEOPLASTIC CELLS JANSSEN-CILAG S.A. (FR) 2000-09-26 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 (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-20020115653-A1 Retinoic acid mimetic anilides RXRA, RXRB, RXRG EPHX1 189/4885CYP17A1 477/4885ALDH1A1 127/4885
US-20050113378-A1 N-[4-(heteroarylmethyl)phenyl]-heteroarylamines CYP2S1, CYP2D6, CYP2C19 EPHX1 328/4885CYP17A1 227/4885ALDH1A1 923/4885
US-20080058334-A1 Retinoic Acid Mimetic Anilides RXRA, RXRB, RXRG EPHX1 166/4885CYP17A1 317/4885ALDH1A1 187/4885
US-20030176419-A1 N-[4-(heteroarylmethyl)phenyl]-heteroarylamines CYP8B1, CYP2S1, CYP2B6 EPHX1 217/4885CYP17A1 188/4885ALDH1A1 362/4885
US-20070105858-A1 RETINOIC ACID MIMETIC ANILIDES RXRA, RXRB, RXRG EPHX1 161/4885CYP17A1 304/4885ALDH1A1 188/4885
US-20070088062-A1 N-[4-(heteroarylmethyl)phenyl]-heteroarylamines CYP2S1, CYP2D6, CYP2C19 EPHX1 328/4885CYP17A1 227/4885ALDH1A1 923/4885

“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.