SCHEMBL26501608

SCHEMBL26501608

Cc1ccc(N2CCN(C(=O)Cc3ccc(C(C)(C)C)cc3)CC2)nn1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PANK3 Q9H999 17/20 0.62
KDM4E B2RXH2 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
TRPV1 Q8NER1 1/20 0.49
ALDH1A1 P00352 1/20 0.47
GAA P10253 1/20 0.47
HPGD P15428 1/20 0.47
CASP1 P29466 1/20 0.47
CASP7 P55210 1/20 0.47
HSD17B10 Q99714 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL21406272 0.87 PANK3 (0.73) PANK3TRPV1
SCHEMBL21424054 0.84 PANK3 (0.74) PANK3
SCHEMBL31717529 0.84 PANK3 (0.74) PANK3
SCHEMBL26502416 0.83 PANK3 (0.56) PANK3KDM4ESMN1; SMN2ALDH1A1GAA
SCHEMBL26501319 0.83 PANK3 (0.79) PANK3
SCHEMBL26501480 0.82 PANK3 (0.73) PANK3KDM4ESMN1; SMN2HPGDHSD17B10
SCHEMBL26501325 0.82 PANK3 (0.76) PANK3KDM4ESMN1; SMN2
SCHEMBL26502364 0.81 PANK3 (0.79) PANK3
SCHEMBL26501929 0.81 PANK3 (0.74) PANK3KDM4ESMN1; SMN2
SCHEMBL26501927 0.81 PANK3 (0.53) PANK3KDM4ESMN1; SMN2ALDH1A1GAA

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 1573/4885KDM4E 1116/4885SMN1; SMN2 1609/4885

“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.