SCHEMBL4050413

SCHEMBL4050413

CCC(CC)C(c1ccc(NC(C)=O)cc1)n1cncn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP26A1 O43174 7/20 0.53
CYP3A4 P08684 2/20 0.53
CYP2C9 P11712 2/20 0.53
CYP2C8 P10632 1/20 0.53
CYP26B1 Q9NR63 1/20 0.53
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
CYP1A2 P05177 2/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
TSHR P16473 2/20 0.39
KDM4E B2RXH2 1/20 0.38
LMNA P02545 2/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
CYP19A1 P11511 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
L3MBTL1 Q9Y468 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
SCHEMBL4047735 0.87 CYP26A1 (0.51) CYP26A1CYP3A4CYP2C9CYP2C8CYP26B1
SCHEMBL4056162 0.86 CYP26A1 (0.43) CYP26A1CYP3A4CYP2C9CYP2C8CYP26B1
SCHEMBL4049465 0.82 CYP26A1 (0.47) CYP26A1CYP3A4CYP2C9CYP2C8CYP26B1
SCHEMBL14837761 0.79 CYP17A1 (0.49) CYP26A1KMT2AMEN1TSHRKDM4E
SCHEMBL4985520 0.78 CYP26A1 (0.53) CYP26A1CYP3A4CYP2C9CYP2C8CYP26B1
SCHEMBL4054105 0.77 CYP26A1 (0.52) CYP26A1CYP3A4CYP2C9CYP2C8CYP26B1
SCHEMBL4986405 0.71 CYP26A1 (0.47) CYP26A1CYP3A4CYP2C9CYP2C8CYP26B1
SCHEMBL4986450 0.70 SMN1; SMN2 (0.50) CYP3A4KMT2AMEN1CYP1A2CYP2C19
SCHEMBL4983683 0.70 CYP26A1 (0.63) CYP26A1CYP3A4CYP2C9CYP2C8CYP26B1
Talarozole SCHEMBL4984008 0.70 CYP26A1 (1.00) CYP26A1CYP3A4CYP2C9CYP2C8CYP26B1

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 15 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 claimed
US-20070105858-A1 RETINOIC ACID MIMETIC ANILIDES MABIRE DOMINIQUE 2007-05-10 US claimed
EP-1037880-B1 RETINOIC ACID MIMETIC ANILIDES JANSSEN PHARMACEUTICA NV (BE) 2004-06-30 EP claimed
US-7378433-B2 N-[4-(heteroarylmethyl)phenyl]-heteroarylamines JANSSEN PHARMACEUTICA, N.V. (BE) 2008-05-27 US disclosed
US-20070088062-A1 N-[4-(heteroarylmethyl)phenyl]-heteroarylamines JANSSEN PHARMACEUTICA, N.V. 2007-04-19 US disclosed
US-7205312-B2 N-[4-(heteroarylmethyl)phenyl]-heteroarylamines JANSSEN PHARMACEUTICA, N.V. (BE) 2007-04-17 US disclosed
US-20050113378-A1 N-[4-(heteroarylmethyl)phenyl]-heteroarylamines JANSSEN PHARMACEUTICA, N.V. 2005-05-26 US disclosed
US-6833375-B2 As inhibitors of the retinoic acid-metabolism, as drugs JANSSEN PHARMACEUTICA, N.V. (BE) 2004-12-21 US disclosed
EP-1037880-B1 RETINOIC ACID MIMETIC ANILIDES JANSSEN PHARMACEUTICA NV (BE) 2004-06-30 EP disclosed
US-20030176419-A1 N-[4-(heteroarylmethyl)phenyl]-heteroarylamines VENET MARC GASTON (FR) 2003-09-18 US disclosed
EP-0907650-B1 N- 4-(HETEROARYLMETHYL)PHENYL]-HETEROARYLAMINES JANSSEN PHARMACEUTICA NV (BE) 2002-12-04 EP disclosed
US-6486187-B1 N-[4-(heteroarylmethyl)phenyl]-heteroarylamines JANSSEN PHARMACEUTICA N.V. (BE) 2002-11-26 US disclosed
US-6124330-A A RETINOIC MIMETIC COMPOUND FOR TREATING A WARM-BLOODED ANIMAL SUFFERING FROM A DISEASE BY AN ABNORMAL PROLIFERATION AND/OR ABNORMAL DIFFERENTIATION OF NORMAL, PRENEOPLASTIC OR NEOPLASTIC CELLS JANSSEN-CILAG S.A. (FR) 2000-09-26 US disclosed
EP-0907650-A1 N- 4-(HETEROARYLMETHYL)PHENYL]-HETEROARYLAMINES JANSSEN PHARMACEUTICA N.V. (BE) 1999-04-14 EP disclosed
WO-1997049704-A1 N-[4-(HETEROARYLMETHYL)PHENYL]-HETEROARYLAMINES JANSSEN PHARMACEUTICA N.V. (BE) 1997-12-31 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-20050113378-A1 N-[4-(heteroarylmethyl)phenyl]-heteroarylamines CYP2S1, CYP2D6, CYP2C19 CYP26A1 61/4885CYP3A4 5/4885CYP2C9 4/4885
US-20030176419-A1 N-[4-(heteroarylmethyl)phenyl]-heteroarylamines CYP8B1, CYP2S1, CYP2B6 CYP26A1 40/4885CYP3A4 15/4885CYP2C9 16/4885
US-20070105858-A1 RETINOIC ACID MIMETIC ANILIDES RXRA, RXRB, RXRG CYP26A1 27/4885CYP3A4 270/4885CYP2C9 286/4885
US-20070088062-A1 N-[4-(heteroarylmethyl)phenyl]-heteroarylamines CYP2S1, CYP2D6, CYP2C19 CYP26A1 61/4885CYP3A4 5/4885CYP2C9 4/4885

“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.