SCHEMBL26501571

SCHEMBL26501571

Cc1ccc(N2CC[C@H](NC(=O)Nc3ccc(C(C)C)cc3)C2)nn1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.55
TP53 P04637 1/20 0.55
EPHX1 P07099 1/20 0.55
NFKB1 P19838 1/20 0.55
NFKB2 Q00653 1/20 0.55
RELA Q04206 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
GLS O94925 4/20 0.49
CCNC P24863 3/20 0.49
CDK8 P49336 3/20 0.49
CA12 O43570 8/20 0.49
CA1 P00915 8/20 0.49
CA2 P00918 8/20 0.49
CA4 P22748 8/20 0.49
CA7 P43166 8/20 0.49
CA9 Q16790 8/20 0.49
PANK3 Q9H999 1/20 0.49
TRPV1 Q8NER1 1/20 0.47

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
SCHEMBL19748833 0.87 PANK3 (0.64) EPHX2TP53EPHX1NFKB1NFKB2
SCHEMBL19748831 0.87 PANK3 (0.64) EPHX2TP53EPHX1NFKB1NFKB2
SCHEMBL26501529 0.84 PANK3 (0.48) GLSPANK3
SCHEMBL26501525 0.84 PANK3 (0.48) GLSPANK3
SCHEMBL26502384 0.81 GLS (0.45) GLS
SCHEMBL26501555 0.81 KMT2A (0.59) EPHX2TP53SMN1; SMN2PANK3
SCHEMBL18890179 0.80 GLS (0.53) SMN1; SMN2GLSCA12CA1CA2
SCHEMBL26502436 0.79 PANK3 (0.44) EPHX2GLSPANK3
SCHEMBL21424077 0.77 PANK3 (0.66) EPHX2TP53EPHX1NFKB1NFKB2
SCHEMBL26501600 0.77 PANK3 (0.79) TP53SMN1; SMN2PANK3TRPV1

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 EPHX2 1708/4885TP53 3054/4885EPHX1 1484/4885

“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.