SCHEMBL659074

SCHEMBL659074

COc1ccc(Cn2nc(C(F)(F)F)cc2C(OC(N)=O)c2ccccc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.40
ASIC1 P78348 1/20 0.40
MAPT P10636 2/20 0.40
AGTR2 P50052 1/20 0.40
F10 P00742 1/20 0.39
ADRB1 P08588 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2B P41595 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
AKR1C3 P42330 1/20 0.39
AKR1C2 P52895 1/20 0.39
PTGER4 P35408 1/20 0.39

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
SCHEMBL660341 0.84 ASIC1 (0.41) ASIC1F10AKR1C3AKR1C2PTGER4
SCHEMBL658627 0.79 KLKB1 (0.40)
SCHEMBL4070158 0.77 ALDH1A1 (0.47) ASIC1MAPTF10AKR1C3
SCHEMBL2688186 0.75 GRN (0.57) MAPTF10AKR1C3PTGER4
SCHEMBL1056343 0.75 HDAC3 (0.43) AKR1C3AKR1C2PTGER4
SCHEMBL14549306 0.75 ALDH1A1 (0.63) MAPTF10AKR1C3AKR1C2PTGER4
SCHEMBL2686357 0.72 AKR1C3 (0.42) ASIC1MAPTAKR1C3AKR1C2PTGER4
SCHEMBL29329022 0.72 MAPT (0.43) MAPTAKR1C3AKR1C2
SCHEMBL1197409 0.71 KDM4E (0.52) MAPT
SCHEMBL1197408 0.71 PTGS2 (0.50) MAPTAKR1C3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120046301-A1 Substituted Cyclic Carboxamide and Urea Derivatives as Ligands of the Vanilloid Receptor GRUENENTHAL GMBH (DE) 2012-02-23 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-20120046301-A1 Substituted Cyclic Carboxamide and Urea Derivatives as Ligands of the Vanilloid Receptor TRPV1, CNR1, CNR2 EPHX1 3741/4885ASIC1 38/4885MAPT 2720/4885

“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.