SCHEMBL4988697

SCHEMBL4988697

c1ccc2sc(Nc3ccc(Cn4ccnc4)cc3)nc2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP26A1 O43174 4/20 0.60
QPCT Q16769 2/20 0.59
NPC1 O15118 4/20 0.56
RAB9A P51151 4/20 0.56
SMN1; SMN2 Q16637 4/20 0.56
MAPT P10636 3/20 0.56
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
CASP3 P42574 1/20 0.56
SENP8 Q96LD8 1/20 0.56
SENP7 Q9BQF6 1/20 0.56
SENP6 Q9GZR1 1/20 0.56
CYP1A2 P05177 3/20 0.55
CYP1A1 P04798 1/20 0.55
CYP1B1 Q16678 1/20 0.55
CYP3A4 P08684 4/20 0.53
CYP2C9 P11712 3/20 0.53
CYP2D6 P10635 3/20 0.53
CYP2C19 P33261 2/20 0.53
CYP2C8 P10632 1/20 0.53

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
SCHEMBL4979752 0.79 NPC1 (0.69) CYP26A1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL1820695 0.76 RAB9A (0.70) CYP26A1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL4981741 0.76 NPC1 (0.69) CYP26A1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL1820740 0.75 NPC1 (0.77) CYP26A1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL5017000 0.74 NPC1 (0.75) CYP26A1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL76506 0.74 QPCT (1.00) QPCTNPC1RAB9ASMN1; SMN2NAMPT
SCHEMBL30195363 0.73 NPC1 (1.00) CYP26A1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL1821021 0.73 NPC1 (1.00) CYP26A1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL4987125 0.72 CYP26A1 (0.73) CYP26A1QPCTNPC1RAB9ASMN1; SMN2
SCHEMBL3758934 0.72 NPC1 (0.66) NPC1RAB9ASMN1; SMN2MAPTMEN1

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 61/4885QPCT 2729/4885NPC1 520/4885
US-20030176419-A1 N-[4-(heteroarylmethyl)phenyl]-heteroarylamines CYP8B1, CYP2S1, CYP2B6 CYP26A1 40/4885QPCT 1902/4885NPC1 298/4885
US-20070088062-A1 N-[4-(heteroarylmethyl)phenyl]-heteroarylamines CYP2S1, CYP2D6, CYP2C19 CYP26A1 61/4885QPCT 2729/4885NPC1 520/4885

“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.