SCHEMBL4113183

SCHEMBL4113183

N#CCOc1ccc(NC(=O)Nc2cccc(C#N)c2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.70
MEN1 O00255 4/20 0.70
KMT2A Q03164 4/20 0.70
ALDH1A1 P00352 3/20 0.70
GAA P10253 2/20 0.54
ALOX15 P16050 1/20 0.54
CASP7 P55210 1/20 0.54
HSD17B10 Q99714 1/20 0.54
RAB9A P51151 4/20 0.54
LMNA P02545 4/20 0.54
MAPK1 P28482 2/20 0.54
KDM4E B2RXH2 2/20 0.54
POLB P06746 1/20 0.54
PKM P14618 1/20 0.54
IL18 Q14116 1/20 0.54
SMN1; SMN2 Q16637 4/20 0.52
NPC1 O15118 4/20 0.52
NSD2 O96028 1/20 0.52
PPIA P62937 1/20 0.51
KDR P35968 2/20 0.50

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
SCHEMBL4117473 0.87 MAPT (0.70) MAPTMEN1KMT2AALDH1A1GAA
SCHEMBL4113028 0.86 MAPT (0.71) MAPTMEN1KMT2AALDH1A1GAA
SCHEMBL31054229 0.86 PPARA (0.58) MAPTMEN1KMT2AGAARAB9A
SCHEMBL4122424 0.86 CDK8 (0.56) MAPTMEN1KMT2AALDH1A1GAA
SCHEMBL4106349 0.86 SAE1 (0.59) MAPTMEN1KMT2AALDH1A1RAB9A
SCHEMBL4111854 0.86 MAPT (0.67) MAPTMEN1KMT2AALDH1A1GAA
SCHEMBL4123109 0.85 TSHR (0.71) MAPTMEN1KMT2AALDH1A1GAA
SCHEMBL4118565 0.85 MAPT (0.67) MAPTMEN1KMT2AALDH1A1GAA
SCHEMBL4111003 0.84 MAPT (0.74) MAPTMEN1KMT2AALDH1A1GAA
SCHEMBL4115459 0.84 KDR (0.56) MAPTMEN1KMT2AALDH1A1GAA

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

“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.