SCHEMBL30865898

SCHEMBL30865898

NC(=O)c1ccc(C(=O)N(C[C@@H]2CCCO2)c2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 1/20 0.44
ALOX15 P16050 1/20 0.44
HSD17B10 Q99714 1/20 0.44
OXTR P30559 11/20 0.42
AVPR1A P37288 9/20 0.39
POLB P06746 2/20 0.38
PKM P14618 1/20 0.38
MAPT P10636 2/20 0.37
LMNA P02545 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
GAA P10253 2/20 0.37
TP53 P04637 1/20 0.36
AVPR2 P30518 1/20 0.36
AVPR1B P47901 1/20 0.36

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
SCHEMBL2119183 1.00 KDM4E (0.44) KDM4EALDH1A1ALOX15HSD17B10OXTR
SCHEMBL26036542 0.83 NAMPT (0.42) KDM4EALDH1A1ALOX15HSD17B10OXTR
SCHEMBL30865909 0.82 RORC (0.47) ALDH1A1SMN1; SMN2TP53
SCHEMBL17783737 0.82 ALB (0.39)
SCHEMBL30865890 0.82 ALB (0.39)
SCHEMBL1017764 0.81 PDK1 (0.45)
SCHEMBL17783745 0.80 PDK1 (0.50)
SCHEMBL30865885 0.80 PDK1 (0.50)
SCHEMBL30865874 0.80 NTRK1 (0.38)
SCHEMBL2119810 0.80 NTRK1 (0.42)

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-20240116872-A1 PYRIDYL INHIBITORS FOR HEDGEHOG SIGNALLING GENENTECH, INC. (US) 2024-04-11 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-20240116872-A1 PYRIDYL INHIBITORS FOR HEDGEHOG SIGNALLING SHH, GLI1, SMO KDM4E 382/4885ALDH1A1 2371/4885ALOX15 4806/4885

“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.