SCHEMBL4113018

SCHEMBL4113018

CCOc1cccc(NC(=O)Nc2ccc(C#N)cc2)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.64
KMT2A Q03164 9/20 0.64
MEN1 O00255 8/20 0.64
ALDH1A1 P00352 1/20 0.64
HTT P42858 1/20 0.63
HSD17B10 Q99714 1/20 0.63
RAB9A P51151 7/20 0.62
NPC1 O15118 7/20 0.62
SMN1; SMN2 Q16637 4/20 0.62
PAX8 Q06710 2/20 0.62
MITF O75030 1/20 0.62
POLB P06746 4/20 0.56
LMNA P02545 3/20 0.56
PKM P14618 2/20 0.56
KDM4E B2RXH2 1/20 0.56
MAPK1 P28482 1/20 0.56
IL18 Q14116 1/20 0.56
TP53 P04637 2/20 0.53
TSHR P16473 1/20 0.53
SAE1 Q9UBE0 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
SCHEMBL4110704 0.91 HSD17B10 (0.64) MAPTKMT2AMEN1ALDH1A1HTT
SCHEMBL4111978 0.89 NPC1 (0.75) MAPTKMT2AMEN1HTTHSD17B10
SCHEMBL4117473 0.88 MAPT (0.70) MAPTKMT2AMEN1ALDH1A1HTT
SCHEMBL4113073 0.88 MAPT (0.71) MAPTKMT2AMEN1ALDH1A1HTT
SCHEMBL4112735 0.85 NPC1 (0.68) MAPTKMT2AMEN1ALDH1A1HTT
SCHEMBL4109903 0.84 RAB9A (0.64) MAPTKMT2AMEN1ALDH1A1HTT
SCHEMBL4107028 0.84 SMN1; SMN2 (0.64) MAPTKMT2AMEN1ALDH1A1HTT
SCHEMBL4121436 0.83 TSHR (0.78) MAPTKMT2AMEN1ALDH1A1HTT
SCHEMBL4106738 0.83 NPC1 (0.64) MAPTKMT2AMEN1ALDH1A1HTT
SCHEMBL4112519 0.83 RAB9A (0.78) MAPTKMT2AMEN1HTTHSD17B10

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 MAPT 1654/4885KMT2A 2807/4885MEN1 3273/4885

“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.