SCHEMBL26501538

SCHEMBL26501538

Cc1ccc(N2C[C@H](NC(=O)Cc3ccc(C(C)C)cc3)[C@@H](O)C2)nn1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PANK3 Q9H999 7/20 0.45
CACNA1H O95180 7/20 0.38
CACNA1G O43497 5/20 0.38
CACNA1I Q9P0X4 5/20 0.38
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
CNR2 P34972 1/20 0.36
NLRP3 Q96P20 1/20 0.35
GLS O94925 1/20 0.35
RET P07949 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
SCHEMBL26501539 1.00 PANK3 (0.45) PANK3CACNA1HCACNA1GCACNA1IUSP2
SCHEMBL26501531 1.00 PANK3 (0.45) PANK3CACNA1HCACNA1GCACNA1IUSP2
SCHEMBL26501572 1.00 PANK3 (0.45) PANK3CACNA1HCACNA1GCACNA1IUSP2
SCHEMBL21406258 0.86 PANK3 (0.61) PANK3RET
SCHEMBL21406192 0.86 PANK3 (0.61) PANK3RET
SCHEMBL21406351 0.86 PANK3 (0.61) PANK3RET
SCHEMBL21406452 0.86 PANK3 (0.61) PANK3RET
SCHEMBL26502448 0.84 PANK3 (0.49) PANK3CACNA1HCACNA1GCACNA1IGLS
SCHEMBL26501577 0.84 PANK3 (0.49) PANK3CACNA1HCACNA1GCACNA1IGLS
SCHEMBL26502445 0.84 GLS (0.36) PANK3CACNA1HCACNA1GCACNA1IGLS

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 1573/4885CACNA1H 1963/4885CACNA1G 2440/4885

“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.