SCHEMBL24718622

SCHEMBL24718622

O=C(NC1CC(=O)N(Cc2ccccc2C(F)(F)F)C1)c1cccnc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 1/20 0.46
▸ ALDH1A1 P00352 4/20 0.45
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ MAPT P10636 1/20 0.41
▸ RIPK1 Q13546 1/20 0.41
▸ P2RX7 Q99572 1/20 0.41
▸ MMP2 P08253 2/20 0.41
▸ ANPEP P15144 2/20 0.41
▸ SIRT2 Q8IXJ6 1/20 0.40
▸ SIRT1 Q96EB6 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CDK5 Q00535 1/20 0.40
▸ CDK5R1 Q15078 1/20 0.40
▸ RAB9A P51151 1/20 0.40

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
SCHEMBL24718389 0.83 TP53 (0.46) ALDH1A1L3MBTL1MAPTP2RX7SIRT2
SCHEMBL24718280 0.83 EPHX2 (0.53) EPHX2ALDH1A1RIPK1P2RX7SIRT2
SCHEMBL24719111 0.81 EPHX2 (0.47) EPHX2ALDH1A1P2RX7SIRT2SIRT1
SCHEMBL24718827 0.80 TP53 (0.49) EPHX2ALDH1A1RIPK1P2RX7SIRT2
SCHEMBL24718637 0.80 TP53 (0.49) ALDH1A1RIPK1P2RX7SIRT2SIRT1
SCHEMBL24718839 0.80 TP53 (0.49) EPHX2ALDH1A1RIPK1P2RX7SIRT2
SCHEMBL24718414 0.80 SIRT2 (0.42) ALDH1A1RIPK1P2RX7SIRT2SIRT1
SCHEMBL24718395 0.80 SIRT2 (0.42) RIPK1P2RX7SIRT2SIRT1TP53
SCHEMBL24719126 0.79 EPHX2 (0.42) EPHX2ALDH1A1RIPK1P2RX7SIRT2
SCHEMBL24718272 0.78 MCHR1 (0.44) EPHX2ALDH1A1RIPK1P2RX7SIRT2

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 EPHX2 1431/4885ALDH1A1 1312/4885L3MBTL1 3376/4885

“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.

Send feedback