SCHEMBL30865880

SCHEMBL30865880

NC(=O)c1ccc(C(=O)N(C2=NCCS2)c2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.38
ALB P02768 1/20 0.37
HTR1A P08908 1/20 0.37
SLC6A2 P23975 1/20 0.37
PDE4A P27815 1/20 0.37
OPRM1 P35372 1/20 0.37
DRD3 P35462 1/20 0.37
HTR2B P41595 1/20 0.37
SLC6A3 Q01959 1/20 0.37
PDE4D Q08499 1/20 0.37
SHH Q15465 1/20 0.37
USP28 Q96RU2 1/20 0.37
SLC29A1 Q99808 1/20 0.37
SMO Q99835 1/20 0.37
ABCG2 Q9UNQ0 1/20 0.37
KMT2A Q03164 3/20 0.35
ALDH1A1 P00352 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
MEN1 O00255 2/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL30865875 0.84 ALB (0.39) SMN1; SMN2ALBHTR1ASLC6A2PDE4A
SCHEMBL17783740 0.83 NPSR1 (0.37) SMN1; SMN2ALBHTR1ASLC6A2PDE4A
SCHEMBL30865873 0.83 NPSR1 (0.37) SMN1; SMN2ALBHTR1ASLC6A2PDE4A
SCHEMBL27191545 0.83 GRM4 (0.40) SMN1; SMN2ALBHTR1ASLC6A2PDE4A
SCHEMBL1019218 0.82 CHEK2 (0.39) SMN1; SMN2ALBHTR1ASLC6A2PDE4A
SCHEMBL30865901 0.81 ALB (0.37) SMN1; SMN2ALBHTR1ASLC6A2PDE4A
SCHEMBL30865891 0.81 ALB (0.37) ALBHTR1ASLC6A2PDE4AOPRM1
SCHEMBL17783736 0.81 ALB (0.37) ALBHTR1ASLC6A2PDE4AOPRM1
SCHEMBL30865869 0.80 ALB (0.37) SMN1; SMN2ALBHTR1ASLC6A2PDE4A
SCHEMBL30865889 0.80 ALB (0.38) SMN1; SMN2ALBHTR1ASLC6A2PDE4A

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 SMN1; SMN2 4106/4885ALB 4881/4885HTR1A 1356/4885

“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.