SCHEMBL4051634

SCHEMBL4051634

CC(C)C(c1ccc(N)cc1)n1cncn1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 15/20 0.44
CYP3A4 P08684 2/20 0.41
CYP11B1 P15538 2/20 0.41
TSHR P16473 1/20 0.41
CYP11B2 P19099 1/20 0.41
CYP2C19 P33261 1/20 0.41
CYP26A1 O43174 4/20 0.38
CYP2C8 P10632 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP26B1 Q9NR63 1/20 0.36
CYP17A1 P05093 1/20 0.35
STS P08842 1/20 0.35

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
SCHEMBL4054105 0.83 CYP26A1 (0.52) CYP19A1CYP3A4CYP11B1TSHRCYP11B2
SCHEMBL14414182 0.79 CYP19A1 (0.68) CYP19A1CYP3A4CYP11B1TSHRCYP11B2
SCHEMBL4056162 0.75 CYP26A1 (0.43) CYP19A1CYP3A4TSHRCYP2C19CYP26A1
SCHEMBL2162413 0.72 CYP19A1 (0.42) CYP19A1CYP3A4CYP11B1TSHRCYP11B2
SCHEMBL23772147 0.72 CYP19A1 (0.53) CYP19A1CYP3A4CYP11B1TSHRCYP11B2
SCHEMBL4054853 0.70 CYP17A1 (0.68) CYP19A1CYP11B1CYP11B2CYP26A1CYP17A1
SCHEMBL7942524 0.68 MEN1 (0.62) CYP19A1CYP3A4CYP11B1
SCHEMBL30241600 0.67 CYP19A1 (0.54) CYP19A1CYP3A4CYP2C19CYP26A1CYP2C8
SCHEMBL21165789 0.65 CYP19A1 (0.42) CYP19A1CYP3A4CYP11B1TSHRCYP11B2
SCHEMBL29973276 0.65

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 423/4885CYP3A4 311/4885CYP11B1 139/4885
US-20050165018-A1 Retinoic acid mimetic anilides RXRA, RXRB, RXRG CYP19A1 274/4885CYP3A4 270/4885CYP11B1 126/4885
US-20080058334-A1 Retinoic Acid Mimetic Anilides RXRA, RXRB, RXRG CYP19A1 273/4885CYP3A4 285/4885CYP11B1 143/4885
US-20070105858-A1 RETINOIC ACID MIMETIC ANILIDES RXRA, RXRB, RXRG CYP19A1 274/4885CYP3A4 270/4885CYP11B1 126/4885

“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.