SCHEMBL26501529

SCHEMBL26501529

Cc1ccc(N2CC[C@@H](NC(=O)Cc3ccc(C(C)C)cc3)C2)nn1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PANK3 Q9H999 2/20 0.48
GLS O94925 15/20 0.47
USP2 O75604 1/20 0.45
ALDH1A1 P00352 1/20 0.45
TSHR P16473 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL26501525 1.00 PANK3 (0.48) PANK3GLSUSP2ALDH1A1TSHR
SCHEMBL26502422 0.94 PANK3 (0.53) PANK3USP2ALDH1A1TSHRL3MBTL1
SCHEMBL19748801 0.87 PANK3 (0.63) PANK3
SCHEMBL21406376 0.87 PANK3 (0.63) PANK3
SCHEMBL19748803 0.87 PANK3 (0.63) PANK3
SCHEMBL26501535 0.84 PANK3 (0.52) PANK3GLS
SCHEMBL26501533 0.84 GLS (0.47) GLS
SCHEMBL26501571 0.84 EPHX2 (0.55) PANK3GLS
SCHEMBL26502384 0.82 GLS (0.45) GLS
SCHEMBL26501531 0.82 PANK3 (0.45) PANK3GLSUSP2ALDH1A1TSHR

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 PANK3 1573/4885GLS 57/4885USP2 1636/4885

“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.