SCHEMBL24718272

SCHEMBL24718272

O=C(NC1CC(=O)N(Cc2ccccc2C(F)(F)F)C1)c1cscn1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 1/20 0.44
▸ P2RX7 Q99572 3/20 0.41
▸ SCN9A Q15858 2/20 0.40
▸ SCN10A Q9Y5Y9 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ SIRT2 Q8IXJ6 1/20 0.40
▸ SIRT1 Q96EB6 1/20 0.40
▸ RIPK1 Q13546 1/20 0.39
▸ EPHX2 P34913 1/20 0.38
▸ SIGMAR1 Q99720 1/20 0.37
▸ PIM1 P11309 1/20 0.37
▸ MEN1 O00255 3/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ HDAC3 O15379 1/20 0.36
▸ HDAC1 Q13547 1/20 0.36
▸ HDAC2 Q92769 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36

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
SCHEMBL24718825 0.83 SCN9A (0.49) P2RX7SCN9ASCN10ATP53SIRT2
SCHEMBL24718289 0.81 P2RX7 (0.43) P2RX7SCN9ASCN10ATP53SIRT2
SCHEMBL24718414 0.81 SIRT2 (0.42) P2RX7SCN9ASCN10ATP53SIRT2
SCHEMBL24718839 0.79 TP53 (0.49) P2RX7TP53SIRT2SIRT1RIPK1
SCHEMBL24718827 0.79 TP53 (0.49) P2RX7TP53SIRT2SIRT1RIPK1
SCHEMBL24718637 0.79 TP53 (0.49) P2RX7TP53SIRT2SIRT1RIPK1
SCHEMBL24718622 0.78 EPHX2 (0.46) P2RX7TP53SIRT2SIRT1RIPK1
SCHEMBL24718395 0.77 SIRT2 (0.42) P2RX7TP53SIRT2SIRT1RIPK1
SCHEMBL24718389 0.76 TP53 (0.46) P2RX7TP53SIRT2SIRT1MEN1
SCHEMBL24719134 0.76 NPC1 (0.47) P2RX7SCN9ATP53SIRT2SIRT1

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 MCHR1 3643/4885P2RX7 4354/4885SCN9A 3941/4885

“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