SCHEMBL26501582

SCHEMBL26501582

C=C(C)c1ccc(CC(=O)N[C@H]2CCN(c3ccc(C)nn3)C2)cc1F

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.41
GLS O94925 9/20 0.41
RPS6KB1 P23443 1/20 0.41
MCHR1 Q99705 1/20 0.40
PANK3 Q9H999 4/20 0.40
SMPD3 Q9NY59 1/20 0.39

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
SCHEMBL31717786 0.89 PANK3 (0.52) RPS6KB1PANK3
SCHEMBL21406381 0.89 PANK3 (0.52) RPS6KB1PANK3
SCHEMBL21406384 0.89 PANK3 (0.52) RPS6KB1PANK3
SCHEMBL26501564 0.88 SIGMAR1 (0.44) SIGMAR1GLSMCHR1PANK3
SCHEMBL26501535 0.84 PANK3 (0.52) SIGMAR1GLSPANK3
SCHEMBL26501563 0.81 GLS (0.41) SIGMAR1GLSPANK3
SCHEMBL26501529 0.77 PANK3 (0.48) GLSPANK3
SCHEMBL26501525 0.77 PANK3 (0.48) GLSPANK3
SCHEMBL23054437 0.75 PANK3 (0.67) SIGMAR1PANK3
SCHEMBL23054435 0.75 PANK3 (0.67) SIGMAR1PANK3

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-20230321092-A1 METHODS OF TREATING DISORDERS ASSOCIATED WITH CASTOR ST. JUDE CHILDREN'S RESEARCH HOSPITAL, INC. 2023-10-12 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-20230321092-A1 METHODS OF TREATING DISORDERS ASSOCIATED WITH CASTOR HMGCR, GCDH, CYP11A1 SIGMAR1 3593/4885GLS 57/4885RPS6KB1 2570/4885

“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.