SCHEMBL26501927

SCHEMBL26501927

Cc1ccc(N2CCN(C(=O)Cc3ccc(C4(F)CC4)cc3)CC2)nn1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PANK3 Q9H999 18/20 0.53
KDM4E B2RXH2 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ALDH1A1 P00352 1/20 0.45
GAA P10253 1/20 0.45
HPGD P15428 1/20 0.45
CASP1 P29466 1/20 0.45
CASP7 P55210 1/20 0.45
HSD17B10 Q99714 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL26501919 0.87 PANK3 (0.51) PANK3KDM4ESMN1; SMN2ALDH1A1GAA
SCHEMBL22920515 0.87 PANK3 (0.69) PANK3
SCHEMBL22920513 0.84 PANK3 (0.71) PANK3
SCHEMBL26501925 0.83 PANK3 (0.55) PANK3KDM4ESMN1; SMN2
SCHEMBL26502416 0.81 PANK3 (0.56) PANK3KDM4ESMN1; SMN2ALDH1A1GAA
SCHEMBL26501319 0.81 PANK3 (0.79) PANK3
SCHEMBL26501608 0.81 PANK3 (0.62) PANK3KDM4ESMN1; SMN2ALDH1A1GAA
SCHEMBL26501325 0.80 PANK3 (0.76) PANK3KDM4ESMN1; SMN2
SCHEMBL26502364 0.78 PANK3 (0.79) PANK3
SCHEMBL26501929 0.78 PANK3 (0.74) PANK3KDM4ESMN1; SMN2

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.