SCHEMBL4056162

SCHEMBL4056162

CC(=O)Nc1ccc(C(C(C)C)n2cncn2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP26A1 O43174 9/20 0.43
CYP3A4 P08684 4/20 0.42
KMT2A Q03164 3/20 0.42
CYP2C9 P11712 3/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2D6 P10635 2/20 0.42
CYP2C19 P33261 2/20 0.42
MEN1 O00255 2/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CYP19A1 P11511 1/20 0.40
ALDH1A1 P00352 2/20 0.39
TSHR P16473 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
CA12 O43570 1/20 0.39
BRD4 O60885 1/20 0.39
NR1I2 O75469 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39

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
SCHEMBL4050413 0.86 CYP26A1 (0.53) CYP26A1CYP3A4KMT2ACYP2C9CYP1A2
SCHEMBL4056198 0.81 MAPK1 (0.44) CYP26A1CYP3A4KMT2ACYP2C9CYP1A2
SCHEMBL4056193 0.81 MAPK1 (0.44) CYP26A1CYP3A4KMT2ACYP2C9CYP1A2
SCHEMBL4046337 0.77 CYP17A1 (0.58) CYP26A1KMT2ACYP19A1TSHRTDP1
SCHEMBL4051634 0.75 CYP19A1 (0.44) CYP26A1CYP3A4CYP2C9CYP2C19CYP19A1
SCHEMBL4047735 0.73 CYP26A1 (0.51) CYP26A1CYP3A4KMT2ACYP2C9CYP1A2
SCHEMBL19806131 0.69 SMN1; SMN2 (0.57) CYP3A4KMT2ACYP2C19MEN1HTT
SCHEMBL11437609 0.69 CYP19A1 (0.54) CYP26A1CYP3A4KMT2ACYP2C9CYP1A2
SCHEMBL104524 0.69 SMN1; SMN2 (0.61) CYP3A4KMT2ACYP2C19MEN1HTT
SCHEMBL4047496 0.68 SMN1; SMN2 (0.55) CYP3A4KMT2ACYP2C19MEN1HTT

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 CYP26A1 28/4885CYP3A4 311/4885KMT2A 2932/4885
US-20050165018-A1 Retinoic acid mimetic anilides RXRA, RXRB, RXRG CYP26A1 27/4885CYP3A4 270/4885KMT2A 3958/4885
US-20080058334-A1 Retinoic Acid Mimetic Anilides RXRA, RXRB, RXRG CYP26A1 31/4885CYP3A4 285/4885KMT2A 3811/4885
US-20070105858-A1 RETINOIC ACID MIMETIC ANILIDES RXRA, RXRB, RXRG CYP26A1 27/4885CYP3A4 270/4885KMT2A 3958/4885

“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.