SCHEMBL13628992

SCHEMBL13628992

CC(C)(C)NC(=O)c1ccc(C(=O)Nc2ccc(I)c(-c3ccccn3)c2)cn1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
POLB P06746 1/20 0.47
MEN1 O00255 1/20 0.47
LMNA P02545 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
KDM4E B2RXH2 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
GRM4 Q14833 3/20 0.46
TRPV1 Q8NER1 1/20 0.46
KCNK3 O14649 1/20 0.43
KCNK9 Q9NPC2 1/20 0.43

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
SCHEMBL13628988 0.90 TRPV1 (0.54) LMNAKMT2AGRM4TRPV1
SCHEMBL1017733 0.89 ALB (0.53) ALDH1A1POLBMEN1LMNAKMT2A
SCHEMBL30572085 0.89 ALB (0.53) ALDH1A1POLBMEN1LMNAKMT2A
SCHEMBL13628991 0.86 GRM4 (0.48) ALDH1A1POLBMEN1LMNAKMT2A
SCHEMBL12214931 0.84 GRM4 (0.51) ALDH1A1POLBMEN1LMNAKMT2A
SCHEMBL10287464 0.83 MEN1 (0.46) ALDH1A1MEN1LMNAKMT2ASMN1; SMN2
SCHEMBL12214930 0.83 HPGDS (0.56) ALDH1A1KDM4ENPC1RAB9AGRM4
SCHEMBL13628990 0.83 ALB (0.55) GRM4TRPV1
SCHEMBL12727286 0.80 ALB (0.49) GRM4TRPV1KCNK3KCNK9
SCHEMBL1019201 0.79 ALB (0.58) NPC1RAB9AGRM4TRPV1

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 ALDH1A1 2407/4885POLB 4447/4885MEN1 468/4885

“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.