SCHEMBL10287948

SCHEMBL10287948

N=C(NCC(F)(F)F)c1ccc(C(=O)Nc2ccc(I)c(-c3ccccn3)c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.47
CES1 P23141 1/20 0.42
GRM4 Q14833 1/20 0.41

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
SCHEMBL1017814 0.89 ALB (0.49) TRPV1GRM4
SCHEMBL26035513 0.89 TRPV1 (0.47) TRPV1
SCHEMBL13628633 0.85 TRPV1 (0.43) TRPV1GRM4
SCHEMBL10287501 0.85 TRPV1 (0.46) TRPV1GRM4
SCHEMBL12215504 0.84 KCNK3 (0.50) TRPV1GRM4
SCHEMBL10287561 0.84 TGFBR1 (0.45) TRPV1GRM4
SCHEMBL12918728 0.83 ALB (0.51) CES1GRM4
SCHEMBL12918726 0.83 TRPV1 (0.46) TRPV1
SCHEMBL12214421 0.82 PAX8 (0.43) TRPV1GRM4
SCHEMBL2619320 0.82 MAPK14 (0.44) TRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120094980-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING GUNZNER JANET L (US) 2012-04-19 US disclosed
US-7888364-B2 Pyridyl inhibitors of hedgehog signalling CURIS, INC. (US) 2011-02-15 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-20120094980-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO TRPV1 4209/4885CES1 4187/4885GRM4 1839/4885

“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.