SCHEMBL4122858

SCHEMBL4122858

CCc1ccc(NC(=O)Nc2ccc3ncccc3c2)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.76
POLB P06746 4/20 0.76
MAPT P10636 4/20 0.76
KMT2A Q03164 4/20 0.76
MEN1 O00255 3/20 0.76
NAMPT P43490 3/20 0.62
RAB9A P51151 10/20 0.57
PABPC1 P11940 1/20 0.56
CASP3 P42574 1/20 0.54
SENP8 Q96LD8 1/20 0.54
SENP7 Q9BQF6 1/20 0.54
SENP6 Q9GZR1 1/20 0.54
ALDH1A1 P00352 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
TSHR P16473 1/20 0.54
HSD17B10 Q99714 1/20 0.54
NOTUM Q6P988 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.52
HDAC6 Q9UBN7 1/20 0.52

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
SCHEMBL31054249 0.87 NPC1 (1.00) NPC1POLBMAPTKMT2AMEN1
SCHEMBL651929 0.87 NPC1 (1.00) NPC1POLBMAPTKMT2AMEN1
SCHEMBL5658310 0.85 NPC1 (0.88) NPC1POLBMAPTKMT2AMEN1
SCHEMBL13702125 0.85 RAB9A (0.64) NPC1POLBMAPTKMT2AMEN1
SCHEMBL4112611 0.84 RAB9A (0.74) NPC1POLBMAPTKMT2AMEN1
SCHEMBL28830798 0.84 MAPT (0.67) NPC1POLBMAPTKMT2AMEN1
SCHEMBL5658555 0.83 NPC1 (0.78) NPC1POLBMAPTKMT2AMEN1
SCHEMBL5657576 0.83 NPC1 (0.78) NPC1POLBMAPTKMT2AMEN1
SCHEMBL5655823 0.82 NPC1 (0.88) NPC1POLBMAPTKMT2AMEN1
SCHEMBL31054258 0.82 NPC1 (0.77) NPC1POLBMAPTKMT2AMEN1

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 927/4885POLB 4267/4885MAPT 1654/4885

“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.