SCHEMBL4986405

SCHEMBL4986405

CCC(CC)C(c1ccc(N=C=S)cc1)n1cncn1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP26A1 O43174 4/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2C8 P10632 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP26B1 Q9NR63 1/20 0.47
CYP19A1 P11511 12/20 0.36
CYP11B1 P15538 1/20 0.36
TSHR P16473 1/20 0.36
CYP11B2 P19099 1/20 0.36
CYP2C19 P33261 1/20 0.36
P2RY6 Q15077 1/20 0.34
ADORA2B P29275 1/20 0.33
POLB P06746 1/20 0.33
HSP90AA1 P07900 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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 0.78 CYP26A1 (0.52) CYP26A1CYP3A4CYP2C8CYP2C9CYP26B1
SCHEMBL4050413 0.71 CYP26A1 (0.53) CYP26A1CYP3A4CYP2C8CYP2C9CYP26B1
SCHEMBL4985520 0.71 CYP26A1 (0.53) CYP26A1CYP3A4CYP2C8CYP2C9CYP26B1
SCHEMBL4047735 0.68 CYP26A1 (0.51) CYP26A1CYP3A4CYP2C8CYP2C9CYP26B1
SCHEMBL6393648 0.66 CYP2C9 (0.49) CYP2C9TSHRP2RY6
SCHEMBL27406775 0.65 CYP26A1 (0.45) CYP26A1CYP3A4CYP2C8CYP2C9CYP26B1
SCHEMBL30241600 0.64 CYP19A1 (0.54) CYP26A1CYP3A4CYP2C8CYP2C9CYP26B1
Talarozole SCHEMBL21020998 0.64 CYP26A1 (1.00) CYP26A1CYP3A4CYP2C8CYP2C9CYP26B1
SCHEMBL30067034 0.62 POLB (0.49) CYP3A4CYP19A1CYP11B1POLBHSP90AA1
SCHEMBL9153074 0.62 P2RY6 (0.44) P2RY6

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-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
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 (3 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 5/4885CYP2C8 14/4885
US-20030176419-A1 N-[4-(heteroarylmethyl)phenyl]-heteroarylamines CYP8B1, CYP2S1, CYP2B6 CYP26A1 40/4885CYP3A4 15/4885CYP2C8 9/4885
US-20070088062-A1 N-[4-(heteroarylmethyl)phenyl]-heteroarylamines CYP2S1, CYP2D6, CYP2C19 CYP26A1 61/4885CYP3A4 5/4885CYP2C8 14/4885

“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.