SCHEMBL13628633

SCHEMBL13628633

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

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.43
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
NCOR2 Q9Y618 1/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
GAA P10253 1/20 0.42
KMT2A Q03164 1/20 0.42
GRM4 Q14833 2/20 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
SCHEMBL10287561 0.90 TGFBR1 (0.45) TRPV1GRM4
SCHEMBL26035561 0.89 MAPK14 (0.47) TRPV1KMT2A
SCHEMBL12214421 0.89 PAX8 (0.43) TRPV1GRM4
SCHEMBL1015359 0.88 ALB (0.52) GRM4
SCHEMBL10287501 0.86 TRPV1 (0.46) TRPV1GRM4
SCHEMBL10287948 0.85 TRPV1 (0.47) TRPV1GRM4
SCHEMBL12214745 0.85 TRPV1 (0.43) TRPV1HDAC3HDAC1HDAC2NCOR2
SCHEMBL12215504 0.85 KCNK3 (0.50) TRPV1GRM4
SCHEMBL2619598 0.84 GRM4 (0.47) TRPV1GRM4
SCHEMBL10287947 0.84 TRPV1 (0.37) TRPV1KDM4EGAAGRM4

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 4209/4885HDAC3 953/4885HDAC1 814/4885

“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.