SCHEMBL4112735

SCHEMBL4112735

CCOc1cccc(NC(=O)Nc2ccccc2)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.68
RAB9A P51151 8/20 0.68
SMN1; SMN2 Q16637 7/20 0.68
MITF O75030 1/20 0.68
PAX8 Q06710 1/20 0.68
HTT P42858 1/20 0.62
HSD17B10 Q99714 1/20 0.62
MAPT P10636 7/20 0.61
KMT2A Q03164 7/20 0.61
MEN1 O00255 5/20 0.61
NR1H4 Q96RI1 1/20 0.60
ALDH1A1 P00352 2/20 0.60
ALOX12 P18054 1/20 0.60
TP53 P04637 1/20 0.59
TSHR P16473 1/20 0.59
POLB P06746 2/20 0.58
USP2 O75604 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
CASP3 P42574 1/20 0.56
SENP8 Q96LD8 1/20 0.56

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
SCHEMBL4111978 0.92 NPC1 (0.75) NPC1RAB9ASMN1; SMN2MITFPAX8
SCHEMBL4107028 0.90 SMN1; SMN2 (0.64) NPC1RAB9ASMN1; SMN2MITFPAX8
SCHEMBL4109903 0.90 RAB9A (0.64) NPC1RAB9ASMN1; SMN2MITFPAX8
SCHEMBL4121436 0.88 TSHR (0.78) NPC1RAB9ASMN1; SMN2MITFPAX8
SCHEMBL4112519 0.88 RAB9A (0.78) NPC1RAB9ASMN1; SMN2MITFPAX8
SCHEMBL4106738 0.88 NPC1 (0.64) NPC1RAB9ASMN1; SMN2MITFPAX8
SCHEMBL4106982 0.87 KMT2A (0.66) NPC1RAB9ASMN1; SMN2MITFPAX8
SCHEMBL28208041 0.87 HTT (0.65) NPC1RAB9ASMN1; SMN2MITFPAX8
SCHEMBL4104631 0.87 KMT2A (0.59) NPC1RAB9ASMN1; SMN2MITFPAX8
SCHEMBL4118559 0.87 MEN1 (0.66) NPC1RAB9ASMN1; SMN2MITFPAX8

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090239841-A1 Diaryl Ureas as CB1 Antagonists NEUROGEN CORPORATION 2009-09-24 US claimed
EP-1804785-A2 DIARYL UREAS AS CB1 ANTAGONISTS NEUROGEN CORPORATION (US) 2007-07-11 EP claimed
WO-2006049941-A2 DIARYL UREAS AS CB1 ANTAGONISTS NEUROGEN CORPORATION (US) 2006-05-11 WO claimed
US-20090239841-A1 Diaryl Ureas as CB1 Antagonists NEUROGEN CORPORATION 2009-09-24 US disclosed
US-20090239841-A1 Diaryl Ureas as CB1 Antagonists NEUROGEN CORPORATION 2009-09-24 US disclosed
US-20090239841-A1 Diaryl Ureas as CB1 Antagonists NEUROGEN CORPORATION 2009-09-24 US 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 (1 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-20090239841-A1 Diaryl Ureas as CB1 Antagonists CNR1, CNR2, OPRL1 NPC1 927/4885RAB9A 815/4885SMN1; SMN2 4056/4885

“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.