SCHEMBL26501600

SCHEMBL26501600

Cc1ccc(N2CCN(C(=O)Nc3ccc(C(C)C)cc3)CC2)nn1

nearest known ligand 0.79

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PANK3 Q9H999 15/20 0.79
TRPV1 Q8NER1 4/20 0.70
TP53 P04637 2/20 0.58
MAPT P10636 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
ALDH1A1 P00352 1/20 0.58
THRB P10828 1/20 0.58
MAPK1 P28482 1/20 0.58

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
SCHEMBL26501605 0.89 PANK3 (0.63) PANK3TRPV1TP53MAPTSMN1; SMN2
SCHEMBL21406450 0.88 PANK3 (1.00) PANK3TRPV1TP53MAPTSMN1; SMN2
SCHEMBL26501491 0.86 PANK3 (0.76) PANK3TRPV1
SCHEMBL26501288 0.84 PANK3 (0.57) PANK3TRPV1MAPTALDH1A1
SCHEMBL19748277 0.84 PANK3 (1.00) PANK3TRPV1
SCHEMBL26501631 0.83 PANK3 (0.77) PANK3TRPV1
SCHEMBL19748655 0.83 PANK3 (0.71) PANK3TRPV1
SCHEMBL21423786 0.82 TRPV1 (1.00) PANK3TRPV1
SCHEMBL26501555 0.82 KMT2A (0.59) PANK3TP53MAPTSMN1; SMN2ALDH1A1
SCHEMBL19748515 0.82 PANK3 (1.00) PANK3TRPV1MAPTALDH1A1

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 1573/4885TRPV1 4795/4885TP53 3054/4885

“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.