SCHEMBL4056245

SCHEMBL4056245

CC(C)C(c1ccc(NC(=O)Nc2ccc(F)cc2)cc1)n1ccnc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 3/20 0.53
KMT2A Q03164 4/20 0.51
MEN1 O00255 2/20 0.51
TAAR1 Q96RJ0 1/20 0.51
CYP26A1 O43174 5/20 0.50
CYP19A1 P11511 1/20 0.50
KDM4E B2RXH2 1/20 0.45
NPC1 O15118 4/20 0.45
RAB9A P51151 4/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
TP53 P04637 1/20 0.45
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44
MAPT P10636 1/20 0.43
XBP1 P17861 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 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
SCHEMBL4046337 0.84 CYP17A1 (0.58) CYP17A1KMT2ACYP26A1CYP19A1KDM4E
SCHEMBL4056699 0.83 CYP17A1 (0.57) CYP17A1KMT2ACYP26A1KDM4ECYP11B1
SCHEMBL4054909 0.82 LMNA (0.54) CYP17A1KMT2AMEN1CYP26A1KDM4E
SCHEMBL8230585 0.80 CYP17A1 (0.50) CYP17A1CYP26A1CYP19A1CYP11B1CYP11B2
SCHEMBL4046842 0.78 CYP17A1 (0.57) CYP17A1KMT2ACYP26A1CYP19A1KDM4E
SCHEMBL4054701 0.77 CYP17A1 (0.50) CYP17A1CYP26A1CYP19A1KDM4ECYP11B1
SCHEMBL4046707 0.76 KDM4E (0.53) CYP17A1KMT2AMEN1CYP26A1KDM4E
SCHEMBL13720870 0.76 KDM4E (0.59) CYP17A1KMT2AMEN1CYP26A1KDM4E
SCHEMBL4046359 0.75 CYP17A1 (0.59) CYP17A1CYP26A1CYP19A1CYP11B1CYP11B2
SCHEMBL5565561 0.75 EGFR (0.61) CYP17A1CYP26A1KDM4ENPC1RAB9A

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 9 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

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 477/4885KMT2A 2932/4885MEN1 4443/4885
US-20050165018-A1 Retinoic acid mimetic anilides RXRA, RXRB, RXRG CYP17A1 304/4885KMT2A 3958/4885MEN1 3649/4885
US-20080058334-A1 Retinoic Acid Mimetic Anilides RXRA, RXRB, RXRG CYP17A1 317/4885KMT2A 3811/4885MEN1 3705/4885
US-20070105858-A1 RETINOIC ACID MIMETIC ANILIDES RXRA, RXRB, RXRG CYP17A1 304/4885KMT2A 3958/4885MEN1 3649/4885

“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.