SCHEMBL26501865

SCHEMBL26501865

Cc1cccc(N2CCN(C(=O)Nc3ccc(C(C)C)cc3)CC2)c1

nearest known ligand 0.80

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PANK3 Q9H999 10/20 0.80
CA12 O43570 2/20 0.76
CA1 P00915 2/20 0.76
CA2 P00918 2/20 0.76
CA9 Q16790 2/20 0.76
MAPT P10636 4/20 0.69
TP53 P04637 3/20 0.69
SMN1; SMN2 Q16637 3/20 0.69
ALDH1A1 P00352 1/20 0.64
THRB P10828 1/20 0.64
MAPK1 P28482 1/20 0.64
TRPV1 Q8NER1 3/20 0.62
HTT P42858 1/20 0.60
POLB P06746 1/20 0.59
NPC1 O15118 1/20 0.56
RAB9A P51151 1/20 0.56

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
SCHEMBL19748868 0.89 PANK3 (1.00) PANK3CA12CA1CA2CA9
SCHEMBL14433824 0.85 CA12 (0.80) PANK3CA12CA1CA2CA9
SCHEMBL26501496 0.85 PANK3 (0.79) PANK3CA12CA2CA9MAPT
SCHEMBL26502461 0.83 PANK3 (0.84) PANK3CA12CA1CA2CA9
SCHEMBL19748641 0.82 PANK3 (1.00) PANK3CA12CA1CA2CA9
SCHEMBL22920508 0.80 PANK3 (0.79) PANK3CA12CA1CA2CA9
SCHEMBL21423865 0.80 PANK3 (0.79) PANK3CA12CA1CA2CA9
SCHEMBL26501627 0.80 PANK3 (0.76) PANK3MAPTTP53SMN1; SMN2ALDH1A1
SCHEMBL26501481 0.79 PANK3 (0.74) PANK3MAPTALDH1A1TRPV1
SCHEMBL31717258 0.79 PANK3 (0.77) PANK3CA12CA2CA9MAPT

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 1573/4885CA12 902/4885CA1 1205/4885

“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.