SCHEMBL4118086

SCHEMBL4118086

CC(C)c1ccc(NC(=O)Nc2ccc(C#N)cc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.68
LMNA P02545 3/20 0.68
TSHR P16473 1/20 0.68
HTT P42858 1/20 0.68
NLRP3 Q96P20 1/20 0.68
MEN1 O00255 3/20 0.61
KMT2A Q03164 3/20 0.61
RAB9A P51151 3/20 0.61
SAE1 Q9UBE0 1/20 0.61
UBA2 Q9UBT2 1/20 0.61
KDM4E B2RXH2 1/20 0.61
POLB P06746 1/20 0.61
PKM P14618 1/20 0.61
MAPK1 P28482 1/20 0.61
IL18 Q14116 1/20 0.61
PANK3 Q9H999 2/20 0.60
ALDH1A1 P00352 2/20 0.58
CA12 O43570 4/20 0.56
CA1 P00915 4/20 0.56
CA2 P00918 4/20 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
SCHEMBL11054945 0.86 MAPT (0.81) MAPTLMNATSHRHTTNLRP3
SCHEMBL19707622 0.86 RAB9A (0.76) MAPTMEN1KMT2ARAB9ACA12
SCHEMBL4116180 0.85 MAPT (0.74) MAPTLMNATSHRHTTNLRP3
SCHEMBL20941673 0.82 ALDH1A1 (0.59) MAPTLMNATSHRHTTNLRP3
SCHEMBL11350741 0.81 RAB9A (0.57) MEN1KMT2ARAB9APANK3CA12
SCHEMBL12890539 0.81 MAPT (0.60) MAPTLMNATSHRHTTNLRP3
SCHEMBL4116856 0.81 MAPT (1.00) MAPTLMNATSHRHTTNLRP3
SCHEMBL11054936 0.81 MAPT (0.69) MAPTLMNATSHRHTTNLRP3
SCHEMBL11896323 0.81 MAPT (0.70) MAPTLMNATSHRHTTNLRP3
Acetic Acid SCHEMBL11525074 0.80 PANK3 (0.49) MAPTMEN1KMT2AKDM4EMAPK1

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 1654/4885LMNA 4283/4885TSHR 536/4885

“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.