SCHEMBL24718841

SCHEMBL24718841

O=C(NC[C@H]1CCC(=O)N1Cc1cccc(C(F)(F)F)c1)c1cc(C(F)(F)F)ccc1O

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 1/20 0.49
▸ ALDH1A1 P00352 3/20 0.45
▸ KCNH2 Q12809 1/20 0.45
▸ CACNA1I Q9P0X4 1/20 0.45
▸ KMT2A Q03164 4/20 0.44
▸ PTGER4 P35408 1/20 0.43
▸ PTGER3 P43115 1/20 0.43
▸ PTGER2 P43116 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ MEN1 O00255 1/20 0.42
▸ ATM Q13315 1/20 0.42
▸ POLB P06746 1/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ DRD4 P21917 1/20 0.41

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
SCHEMBL24718661 1.00 P2RX7 (0.49) P2RX7ALDH1A1KCNH2CACNA1IKMT2A
SCHEMBL24718666 1.00 P2RX7 (0.49) P2RX7ALDH1A1KCNH2CACNA1IKMT2A
SCHEMBL24718263 0.79 ALDH1A1 (0.49) P2RX7ALDH1A1KCNH2CACNA1IKMT2A
SCHEMBL24718258 0.79 ALDH1A1 (0.49) P2RX7ALDH1A1KCNH2CACNA1IKMT2A
SCHEMBL24718672 0.79 ALDH1A1 (0.49) P2RX7ALDH1A1KCNH2CACNA1IKMT2A
SCHEMBL30157885 0.77 P2RX7 (0.60) P2RX7ALDH1A1KMT2APTGER4PTGER3
SCHEMBL30157636 0.74 P2RX7 (0.56) P2RX7ALDH1A1KMT2ANPC1RAB9A
SCHEMBL24718648 0.73 TEAD1 (0.52) ALDH1A1KMT2ANPC1RAB9AMEN1
SCHEMBL24718303 0.73 TEAD1 (0.52) ALDH1A1KMT2ANPC1RAB9AMEN1
SCHEMBL30158065 0.73 SIGMAR1 (0.53) P2RX7ALDH1A1KCNH2KMT2APTGER4

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-20220363633-A1 SUBSTITUTED PYRROLIDONES AND PIPERIDONES AS SMALL MOLECULE INHIBITORS OF EZH2 AND EED PROTEIN BINDING UNITED STATES GOVERNMENT 2022-11-17 — — 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-20220363633-A1 SUBSTITUTED PYRROLIDONES AND PIPERIDONES AS SMALL MOLECULE INHIBITORS OF EZH2 AND EED PROTEIN BINDING EED, EZH2, ELP1 P2RX7 4354/4885ALDH1A1 1312/4885KCNH2 4627/4885

“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.

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