SCHEMBL4056672

SCHEMBL4056672

C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(C(C(C)C)n2ccnc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.47
CYP26A1 O43174 4/20 0.46
CYP17A1 P05093 1/20 0.42
IDO1 P14902 1/20 0.41
MAPT P10636 5/20 0.40
KDM4E B2RXH2 2/20 0.40
CYP3A4 P08684 1/20 0.40
KMT2A Q03164 5/20 0.39
MEN1 O00255 4/20 0.39
ALDH1A1 P00352 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
POLB P06746 2/20 0.38
MAPK1 P28482 1/20 0.37
GAA P10253 2/20 0.37
PKM P14618 1/20 0.37
HTT P42858 2/20 0.37
NPC1 O15118 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
SCHEMBL4056679 1.00 CYP19A1 (0.47) CYP19A1CYP26A1CYP17A1IDO1MAPT
SCHEMBL4056684 1.00 CYP19A1 (0.47) CYP19A1CYP26A1CYP17A1IDO1MAPT
SCHEMBL4053811 0.86 CYP17A1 (0.45) CYP26A1CYP17A1KDM4EKMT2AMAPK1
SCHEMBL4053809 0.86 CYP17A1 (0.45) CYP26A1CYP17A1KDM4EKMT2AMAPK1
SCHEMBL4052241 0.86 CYP17A1 (0.45) CYP26A1CYP17A1KDM4EKMT2AMAPK1
SCHEMBL1262178 0.86 CYP17A1 (0.55) CYP26A1CYP17A1MAPTKDM4EKMT2A
SCHEMBL1262179 0.86 CYP17A1 (0.55) CYP26A1CYP17A1MAPTKDM4EKMT2A
SCHEMBL8918548 0.81 CYP19A1 (0.69) CYP19A1CYP26A1CYP17A1IDO1CYP3A4
SCHEMBL4046337 0.76 CYP17A1 (0.58) CYP19A1CYP26A1CYP17A1KDM4EKMT2A
SCHEMBL4056699 0.72 CYP17A1 (0.57) CYP26A1CYP17A1KDM4EKMT2A

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 CYP19A1 423/4885CYP26A1 28/4885CYP17A1 477/4885
US-20050165018-A1 Retinoic acid mimetic anilides RXRA, RXRB, RXRG CYP19A1 274/4885CYP26A1 27/4885CYP17A1 304/4885
US-20080058334-A1 Retinoic Acid Mimetic Anilides RXRA, RXRB, RXRG CYP19A1 273/4885CYP26A1 31/4885CYP17A1 317/4885
US-20070105858-A1 RETINOIC ACID MIMETIC ANILIDES RXRA, RXRB, RXRG CYP19A1 274/4885CYP26A1 27/4885CYP17A1 304/4885

“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.