SCHEMBL22920508

SCHEMBL22920508

CC(C)c1ccc(NC(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc1

nearest known ligand 0.79

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PANK3 Q9H999 11/20 0.79
SMN1; SMN2 Q16637 3/20 0.77
MAPT P10636 3/20 0.77
TP53 P04637 2/20 0.77
ALDH1A1 P00352 1/20 0.77
THRB P10828 1/20 0.77
MAPK1 P28482 1/20 0.77
CA12 O43570 3/20 0.74
CA2 P00918 3/20 0.74
CA9 Q16790 3/20 0.74
KDM4E B2RXH2 1/20 0.73
LMNA P02545 1/20 0.73
TRPV1 Q8NER1 2/20 0.68
NPC1 O15118 1/20 0.65
RAB9A P51151 1/20 0.65
CA1 P00915 1/20 0.62
STS P08842 1/20 0.62

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
SCHEMBL13234944 0.90 CA12 (0.89) PANK3SMN1; SMN2MAPTTP53ALDH1A1
SCHEMBL26501496 0.90 PANK3 (0.79) PANK3SMN1; SMN2MAPTTP53ALDH1A1
SCHEMBL21423865 0.90 PANK3 (0.79) PANK3SMN1; SMN2MAPTTP53ALDH1A1
SCHEMBL31717258 0.88 PANK3 (0.77) PANK3SMN1; SMN2MAPTTP53ALDH1A1
SCHEMBL19748679 0.88 PANK3 (1.00) PANK3SMN1; SMN2MAPTTP53ALDH1A1
SCHEMBL19748656 0.87 PANK3 (1.00) PANK3SMN1; SMN2MAPTTP53ALDH1A1
SCHEMBL29178284 0.86 CA12 (0.78) PANK3SMN1; SMN2MAPTTP53ALDH1A1
SCHEMBL19748868 0.86 PANK3 (1.00) PANK3SMN1; SMN2MAPTTP53ALDH1A1
SCHEMBL19748641 0.86 PANK3 (1.00) PANK3SMN1; SMN2MAPTTP53ALDH1A1
SCHEMBL26502461 0.85 PANK3 (0.84) PANK3SMN1; SMN2MAPTTP53ALDH1A1

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-20210023081-A1 METHODS OF TREATING DISORDERS ASSOCIATED WITH CASTOR ST. JUDE CHILDREN'S RESEARCH HOSPITAL, INC. 2021-01-28 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-20210023081-A1 METHODS OF TREATING DISORDERS ASSOCIATED WITH CASTOR HMGCR, GCDH, CYP11A1 PANK3 1573/4885SMN1; SMN2 1609/4885MAPT 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.