SCHEMBL4111982

SCHEMBL4111982

CCOC(=O)c1cccc(NC(=O)Nc2ccc(OCC#N)cc2)c1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.79
RAB9A P51151 5/20 0.79
SMN1; SMN2 Q16637 5/20 0.79
KMT2A Q03164 4/20 0.79
MAPT P10636 3/20 0.79
MEN1 O00255 3/20 0.79
CA12 O43570 1/20 0.65
CA1 P00915 1/20 0.65
CA2 P00918 1/20 0.65
CA9 Q16790 1/20 0.65
MITF O75030 1/20 0.61
PAX8 Q06710 1/20 0.61
TSHR P16473 2/20 0.58
MAPK1 P28482 1/20 0.58
HSD17B10 Q99714 1/20 0.58
TRPV1 Q8NER1 2/20 0.57
POLB P06746 2/20 0.55
NPSR1 Q6W5P4 1/20 0.55
CYP1A2 P05177 2/20 0.54
CYP2C9 P11712 2/20 0.54

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
SCHEMBL4110883 0.90 RAB9A (0.62) NPC1RAB9ASMN1; SMN2KMT2AMAPT
SCHEMBL4116127 0.88 MAPT (0.61) NPC1RAB9ASMN1; SMN2KMT2AMAPT
SCHEMBL4128090 0.88 MAPT (1.00) NPC1RAB9ASMN1; SMN2KMT2AMAPT
SCHEMBL4111408 0.85 NPC1 (0.84) NPC1RAB9ASMN1; SMN2KMT2AMAPT
SCHEMBL4112590 0.84 MAPT (0.67) NPC1RAB9ASMN1; SMN2KMT2AMAPT
SCHEMBL4115459 0.84 KDR (0.56) NPC1RAB9ASMN1; SMN2KMT2AMAPT
SCHEMBL4106349 0.83 SAE1 (0.59) NPC1RAB9ASMN1; SMN2KMT2AMAPT
SCHEMBL4124085 0.83 MAPT (0.81) NPC1RAB9ASMN1; SMN2KMT2AMAPT
SCHEMBL4113506 0.82 RAB9A (0.79) NPC1RAB9ASMN1; SMN2KMT2AMAPT
SCHEMBL4112128 0.81 MAPT (0.77) NPC1RAB9ASMN1; SMN2KMT2AMAPT

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

“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.