SCHEMBL26501577

SCHEMBL26501577

Cc1ccc(N2C[C@H](NC(=O)Cc3ccc(C(C)C)c(F)c3)[C@@H](O)C2)nn1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PANK3 Q9H999 10/20 0.49
PTGS1 P23219 2/20 0.36
PTGS2 P35354 2/20 0.36
RET P07949 2/20 0.36
CACNA1G O43497 2/20 0.33
CACNA1H O95180 2/20 0.33
CACNA1I Q9P0X4 2/20 0.33
KCNJ6 P48051 1/20 0.33
KCNJ5 P48544 1/20 0.33
KCNJ3 P48549 1/20 0.33
GLS O94925 2/20 0.33

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
SCHEMBL26502448 1.00 PANK3 (0.49) PANK3PTGS1PTGS2RETCACNA1G
SCHEMBL31717534 0.88 PANK3 (0.64) PANK3RET
SCHEMBL19747958 0.88 PANK3 (0.64) PANK3RET
SCHEMBL21406136 0.88 PANK3 (0.64) PANK3RET
SCHEMBL31717844 0.88 PANK3 (0.64) PANK3RET
SCHEMBL26501539 0.84 PANK3 (0.45) PANK3RETCACNA1GCACNA1HCACNA1I
SCHEMBL26501538 0.84 PANK3 (0.45) PANK3RETCACNA1GCACNA1HCACNA1I
SCHEMBL26501531 0.84 PANK3 (0.45) PANK3RETCACNA1GCACNA1HCACNA1I
SCHEMBL26501572 0.84 PANK3 (0.45) PANK3RETCACNA1GCACNA1HCACNA1I
SCHEMBL26501535 0.84 PANK3 (0.52) PANK3GLS

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 1573/4885PTGS1 2068/4885PTGS2 1699/4885

“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.