SCHEMBL13628991

SCHEMBL13628991

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

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 3/20 0.48
ALDH1A1 P00352 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
POLB P06746 1/20 0.47
LMNA P02545 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
AHR P35869 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
SCHEMBL13628989 0.90 GRM4 (0.48) GRM4
SCHEMBL30572102 0.89 ALB (0.53) GRM4ALDH1A1MEN1KMT2APOLB
SCHEMBL2611890 0.89 ALB (0.53) GRM4ALDH1A1MEN1KMT2APOLB
SCHEMBL13628992 0.86 ALDH1A1 (0.47) GRM4ALDH1A1MEN1KMT2APOLB
SCHEMBL12214931 0.86 GRM4 (0.51) GRM4ALDH1A1MEN1KMT2APOLB
SCHEMBL10287464 0.83 MEN1 (0.46) ALDH1A1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL12214930 0.83 HPGDS (0.56) GRM4ALDH1A1KDM4ENPC1RAB9A
SCHEMBL2619399 0.81 HCAR3 (0.47) GRM4ALDH1A1MEN1KMT2ANPC1
SCHEMBL12727284 0.80 CYP2C19 (0.40) GRM4ALDH1A1NPC1RAB9A
SCHEMBL12727285 0.80 CYP2C19 (0.40) GRM4ALDH1A1NPC1RAB9A

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 GRM4 1839/4885ALDH1A1 2407/4885MEN1 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.