SCHEMBL4986984

SCHEMBL4986984

CC(C(O)c1ccc(Nc2nc3ccccc3s2)cc1)N(C)C

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP26A1 O43174 7/20 0.64
CYP3A4 P08684 4/20 0.64
CYP2C9 P11712 4/20 0.64
CYP2D6 P10635 2/20 0.64
CYP2C19 P33261 2/20 0.64
CYP2C8 P10632 2/20 0.64
CYP26B1 Q9NR63 2/20 0.64
CYP1A2 P05177 1/20 0.64
NPC1 O15118 7/20 0.58
RAB9A P51151 7/20 0.58
SMN1; SMN2 Q16637 6/20 0.58
KMT2A Q03164 4/20 0.58
MEN1 O00255 3/20 0.58
MAPT P10636 3/20 0.58
CASP3 P42574 1/20 0.56
SENP8 Q96LD8 1/20 0.56
SENP7 Q9BQF6 1/20 0.56
SENP6 Q9GZR1 1/20 0.56
POLB P06746 2/20 0.54
NFKB1 P19838 2/20 0.54

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
SCHEMBL4988336 0.82 NPC1 (0.58) CYP26A1CYP3A4CYP2C9CYP2D6CYP2C19
SCHEMBL4988013 0.81 CYP26A1 (0.62) CYP26A1CYP3A4CYP2C9CYP2D6CYP2C19
SCHEMBL4983514 0.80 NPC1 (0.56) CYP26A1CYP3A4CYP2C9CYP2D6CYP2C19
SCHEMBL8509500 0.79 NPC1 (0.55) CYP26A1CYP3A4CYP2C9CYP2D6CYP2C19
SCHEMBL7700513 0.78 NPC1 (0.56) CYP26A1CYP3A4CYP2C9CYP2D6CYP2C19
SCHEMBL29567796 0.78 CYP26A1 (1.00) CYP26A1CYP3A4CYP2C9CYP2D6CYP2C19
SCHEMBL14957704 0.78 CYP26A1 (1.00) CYP26A1CYP3A4CYP2C9CYP2D6CYP2C19
SCHEMBL4986664 0.78 CYP26A1 (1.00) CYP26A1CYP3A4CYP2C9CYP2D6CYP2C19
SCHEMBL4986440 0.77 CYP26A1 (1.00) CYP26A1CYP3A4CYP2C9CYP2D6CYP2C19
SCHEMBL5376434 0.77 NPC1 (0.56) CYP26A1CYP3A4CYP2C9CYP2D6CYP2C19

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 5/4885CYP2C9 4/4885
US-20030176419-A1 N-[4-(heteroarylmethyl)phenyl]-heteroarylamines CYP8B1, CYP2S1, CYP2B6 CYP26A1 40/4885CYP3A4 15/4885CYP2C9 16/4885
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.