SCHEMBL4124112

SCHEMBL4124112

COCc1ccc(NC(=O)Nc2ccc(C#N)cc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SAE1 Q9UBE0 2/20 0.69
UBA2 Q9UBT2 2/20 0.69
MAPT P10636 4/20 0.60
LMNA P02545 3/20 0.60
MEN1 O00255 3/20 0.60
KMT2A Q03164 3/20 0.60
POLB P06746 3/20 0.60
KDM4E B2RXH2 3/20 0.60
RAB9A P51151 3/20 0.60
PKM P14618 1/20 0.60
MAPK1 P28482 1/20 0.60
IL18 Q14116 1/20 0.60
TSHR P16473 2/20 0.58
HTT P42858 1/20 0.58
NLRP3 Q96P20 1/20 0.58
ALDH1A1 P00352 3/20 0.54
CA12 O43570 2/20 0.52
CA1 P00915 2/20 0.52
CA2 P00918 2/20 0.52
CA9 Q16790 2/20 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
SCHEMBL4122852 0.86 MAPT (0.68) SAE1UBA2MAPTLMNAMEN1
SCHEMBL4104728 0.83 SAE1 (0.76) SAE1UBA2MAPTLMNAMEN1
SCHEMBL11054945 0.82 MAPT (0.81) SAE1UBA2MAPTLMNAMEN1
SCHEMBL993599 0.82 CYP2A6 (0.58) KMT2ARAB9ATSHRALDH1A1CA12
SCHEMBL4112221 0.81 RAB9A (0.63) SAE1UBA2MAPTLMNAMEN1
SCHEMBL4111129 0.81 NPC1 (0.60) SAE1UBA2MAPTMEN1KMT2A
SCHEMBL4112527 0.80 SAE1 (0.71) SAE1UBA2MAPTLMNAMEN1
SCHEMBL4113109 0.80 ALDH1A1 (0.56) SAE1UBA2MAPTLMNAMEN1
SCHEMBL4105835 0.80 SAE1 (0.76) SAE1UBA2MAPTMEN1KMT2A
SCHEMBL12230329 0.78 MAOB (0.69) SAE1UBA2MAPTLMNAMEN1

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 4 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

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 SAE1 2238/4885UBA2 318/4885MAPT 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.