SCHEMBL4110299

SCHEMBL4110299

COc1ccc(NC(=O)Nc2ccc(OCC#N)cc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.67
SMN1; SMN2 Q16637 6/20 0.67
NPC1 O15118 5/20 0.67
SAE1 Q9UBE0 1/20 0.60
UBA2 Q9UBT2 1/20 0.60
MAPT P10636 8/20 0.56
KDM4E B2RXH2 5/20 0.56
MEN1 O00255 5/20 0.56
KMT2A Q03164 5/20 0.56
POLB P06746 4/20 0.56
TP53 P04637 3/20 0.55
ESR2 Q92731 1/20 0.55
NOX1 Q9Y5S8 1/20 0.55
TSHR P16473 2/20 0.54
PKM P14618 2/20 0.53
MAPK1 P28482 2/20 0.53
LMNA P02545 1/20 0.53
IL18 Q14116 1/20 0.53
CA12 O43570 1/20 0.52
CA1 P00915 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
SCHEMBL4123109 0.88 TSHR (0.71) RAB9ASMN1; SMN2NPC1MAPTMEN1
SCHEMBL4113552 0.88 MAPT (0.68) RAB9ASMN1; SMN2NPC1MAPTKDM4E
SCHEMBL4104760 0.88 MAPT (0.53) RAB9ASMN1; SMN2NPC1MAPTKDM4E
SCHEMBL4124258 0.87 MAPT (0.64) RAB9ASMN1; SMN2NPC1MAPTKDM4E
SCHEMBL4113028 0.86 MAPT (0.71) RAB9ASMN1; SMN2NPC1SAE1UBA2
SCHEMBL31054229 0.86 PPARA (0.58) RAB9ASMN1; SMN2NPC1MAPTKDM4E
SCHEMBL4119186 0.85 CA12 (0.55) RAB9ASMN1; SMN2NPC1MAPTKDM4E
SCHEMBL4112427 0.85 RAB9A (0.54) RAB9ASMN1; SMN2NPC1SAE1UBA2
SCHEMBL4112803 0.85 MEN1 (0.53) RAB9ASMN1; SMN2NPC1MAPTKDM4E
SCHEMBL4113574 0.83 MEN1 (0.51) RAB9ASMN1; SMN2NPC1MAPTKDM4E

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 3 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 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 RAB9A 815/4885SMN1; SMN2 4056/4885NPC1 927/4885

“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.