SCHEMBL13628988

SCHEMBL13628988

CC(C)(C)NC(=O)c1ccc(C(=O)Nc2ccc(I)c(-c3ccccn3)c2)cc1

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.54
LMNA P02545 1/20 0.47
KMT2A Q03164 1/20 0.47
GRM4 Q14833 2/20 0.46

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
SCHEMBL13628992 0.90 ALDH1A1 (0.47) TRPV1LMNAKMT2AGRM4
SCHEMBL13628990 0.88 ALB (0.55) TRPV1GRM4
SCHEMBL1019201 0.87 ALB (0.58) TRPV1GRM4
SCHEMBL30572112 0.87 ALB (0.58) TRPV1GRM4
SCHEMBL13628989 0.84 GRM4 (0.48) TRPV1GRM4
SCHEMBL12727302 0.83 ALB (0.59) TRPV1
SCHEMBL10287501 0.82 TRPV1 (0.46) TRPV1GRM4
SCHEMBL12727161 0.82 TRPV1 (0.46) TRPV1
SCHEMBL12215504 0.81 KCNK3 (0.50) TRPV1GRM4
SCHEMBL12214925 0.81 CA2 (0.56) KMT2A

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-20090281089-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING GENENTECH, INC. (US) 2009-11-12 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-20090281089-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO TRPV1 4209/4885LMNA 3716/4885KMT2A 1528/4885

“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.