SCHEMBL26501627

SCHEMBL26501627

Cc1ncc(N2CCN(C(=O)Nc3ccc(C(C)C)cc3)CC2)cn1

nearest known ligand 0.76

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PANK3 Q9H999 15/20 0.76
TP53 P04637 2/20 0.65
MAPT P10636 2/20 0.65
SMN1; SMN2 Q16637 2/20 0.65
ALDH1A1 P00352 1/20 0.65
THRB P10828 1/20 0.65
MAPK1 P28482 1/20 0.65
TRPV1 Q8NER1 2/20 0.64

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
SCHEMBL21406387 0.86 PANK3 (1.00) PANK3TP53MAPTSMN1; SMN2ALDH1A1
SCHEMBL21424245 0.84 PANK3 (0.72) PANK3TP53MAPTSMN1; SMN2ALDH1A1
SCHEMBL26501496 0.84 PANK3 (0.79) PANK3TP53MAPTSMN1; SMN2ALDH1A1
SCHEMBL26501835 0.83 PANK3 (0.80) PANK3TP53MAPTSMN1; SMN2ALDH1A1
SCHEMBL26501631 0.82 PANK3 (0.77) PANK3TRPV1
SCHEMBL22920508 0.81 PANK3 (0.79) PANK3TP53MAPTSMN1; SMN2ALDH1A1
SCHEMBL21423865 0.81 PANK3 (0.79) PANK3TP53MAPTSMN1; SMN2ALDH1A1
SCHEMBL19748515 0.81 PANK3 (1.00) PANK3MAPTALDH1A1TRPV1
SCHEMBL31717258 0.80 PANK3 (0.77) PANK3TP53MAPTSMN1; SMN2ALDH1A1
SCHEMBL19748679 0.80 PANK3 (1.00) PANK3TP53MAPTSMN1; SMN2ALDH1A1

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 1573/4885TP53 3054/4885MAPT 1819/4885

“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.