SCHEMBL4111110

SCHEMBL4111110

CCOC(=O)c1ccc(NC(=O)Nc2ccc(O)cc2)cc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.75
MEN1 O00255 3/20 0.75
KMT2A Q03164 3/20 0.75
TRPV1 Q8NER1 2/20 0.75
CASP3 P42574 1/20 0.75
SENP7 Q9BQF6 1/20 0.75
CA12 O43570 2/20 0.74
CA1 P00915 2/20 0.74
CA2 P00918 2/20 0.74
CA9 Q16790 2/20 0.74
ESR1 P03372 1/20 0.74
CA7 P43166 1/20 0.74
ESR2 Q92731 1/20 0.74
CA14 Q9ULX7 1/20 0.74
GAA P10253 2/20 0.66
TSHR P16473 1/20 0.63
RAB9A P51151 6/20 0.63
SMN1; SMN2 Q16637 5/20 0.63
NPC1 O15118 4/20 0.63
NAMPT P43490 1/20 0.62

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
SCHEMBL4113307 0.89 MAPT (0.77) MAPTMEN1KMT2ATRPV1CASP3
SCHEMBL4915127 0.87 MAPT (0.75) MAPTMEN1KMT2ATRPV1CASP3
SCHEMBL4112088 0.87 KMT2A (0.75) MAPTMEN1KMT2ATRPV1CASP3
SCHEMBL1019967 0.87 SMN1; SMN2 (0.78) MAPTMEN1KMT2ATRPV1CASP3
SCHEMBL4922844 0.87 MAPT (0.75) MAPTMEN1KMT2ATRPV1CASP3
SCHEMBL20442346 0.86 MAPT (0.61) MAPTMEN1KMT2ATRPV1CASP3
Ethylparaben SCHEMBL28368 0.86 CA12 (1.00) MAPTMEN1KMT2ACA12CA1
Ethylparaben SCHEMBL5311680 0.86 CA12 (1.00) MAPTMEN1KMT2ACA12CA1
SCHEMBL4920241 0.86 MAPT (0.73) MAPTMEN1KMT2ATRPV1CASP3
SCHEMBL4122958 0.86 MAPT (1.00) MAPTMEN1KMT2ATRPV1CASP3

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-20180215705-A1 hTRPV1 CHEMICAL AGENTS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2018-08-02 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
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 (2 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
US-20180215705-A1 hTRPV1 CHEMICAL AGENTS TRPV1, TRPA1, TRPV4 MAPT 4496/4885MEN1 4341/4885KMT2A 3814/4885

“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.