SCHEMBL4056699

SCHEMBL4056699

CC(C)C(c1ccc(NC(N)=O)cc1)n1ccnc1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 3/20 0.57
CYP26A1 O43174 8/20 0.52
KIF11 P52732 2/20 0.49
KDM4E B2RXH2 1/20 0.48
CYP11B1 P15538 2/20 0.47
CYP11B2 P19099 2/20 0.47
KMT2A Q03164 1/20 0.45
TBXAS1 P24557 1/20 0.44
GLA P06280 1/20 0.42

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 0.88 CYP17A1 (0.58) CYP17A1CYP26A1KDM4ECYP11B1CYP11B2
SCHEMBL4046842 0.86 CYP17A1 (0.57) CYP17A1CYP26A1KDM4ECYP11B1CYP11B2
SCHEMBL4056245 0.83 CYP17A1 (0.53) CYP17A1CYP26A1KDM4ECYP11B1CYP11B2
SCHEMBL9662936 0.80 CYP17A1 (0.56) CYP17A1CYP26A1CYP11B1CYP11B2TBXAS1
SCHEMBL13720870 0.79 KDM4E (0.59) CYP17A1CYP26A1KDM4ECYP11B1CYP11B2
SCHEMBL4046707 0.79 KDM4E (0.53) CYP17A1CYP26A1KDM4ECYP11B1CYP11B2
SCHEMBL4054909 0.78 LMNA (0.54) CYP17A1CYP26A1KDM4ECYP11B1CYP11B2
SCHEMBL4054853 0.78 CYP17A1 (0.68) CYP17A1CYP26A1CYP11B1CYP11B2
SCHEMBL5564403 0.78 CYP17A1 (0.53) CYP17A1CYP26A1CYP11B1CYP11B2
SCHEMBL4046359 0.78 CYP17A1 (0.59) CYP17A1CYP26A1CYP11B1CYP11B2

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 477/4885CYP26A1 28/4885KIF11 4822/4885
US-20050165018-A1 Retinoic acid mimetic anilides RXRA, RXRB, RXRG CYP17A1 304/4885CYP26A1 27/4885KIF11 4817/4885
US-20080058334-A1 Retinoic Acid Mimetic Anilides RXRA, RXRB, RXRG CYP17A1 317/4885CYP26A1 31/4885KIF11 4827/4885
US-20070105858-A1 RETINOIC ACID MIMETIC ANILIDES RXRA, RXRB, RXRG CYP17A1 304/4885CYP26A1 27/4885KIF11 4817/4885

“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.