SCHEMBL16627713

SCHEMBL16627713

O=C(NCCc1ccc(F)cc1)c1cc2ccccc2[nH]c1=O

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 6/20 0.59
NPC1 O15118 3/20 0.52
RAB9A P51151 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
PARP1 P09874 2/20 0.52
CNR1 P21554 1/20 0.52
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
KMT2A Q03164 1/20 0.50
SMYD3 Q9H7B4 2/20 0.49
EGFR P00533 1/20 0.48
CDK2 P24941 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48

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
SCHEMBL34468791 0.90 KDM4E (0.62) CNR2NPC1RAB9APARP1CNR1
SCHEMBL16627891 0.89 KDM4E (0.52) CNR2NPC1RAB9ACNR1KDM4E
SCHEMBL34468766 0.88 SMYD3 (0.49) CNR2NPC1RAB9APARP1KDM4E
SCHEMBL34468807 0.88 PARP1 (0.50) CNR2NPC1RAB9APARP1CNR1
SCHEMBL16627831 0.88 KDM4E (0.51) CNR2NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL16627593 0.88 KDM4E (0.51) CNR2NPC1RAB9ASMN1; SMN2PARP1
SCHEMBL16627711 0.88 HTT (0.57) CNR2SMN1; SMN2CNR1KDM4EALDH1A1
SCHEMBL16627739 0.87 SMYD3 (0.50) CNR2NPC1RAB9ACNR1KDM4E
SCHEMBL16627887 0.85 KDM4E (0.48) CNR2NPC1RAB9ACNR1KDM4E
SCHEMBL16627868 0.84 KDM4E (0.48) CNR2NPC1KDM4EALDH1A1KMT2A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2026090571-A1 APYRASE INHIBITORS TEXAS CROP SCIENCE, INC. (US) 2026-04-30 WO claimed
US-20260116873-A1 APYRASE INHIBITORS TEXAS CROP SCIENCE INC (US) 2026-04-30 US claimed
US-20260116873-A1 APYRASE INHIBITORS TEXAS CROP SCIENCE INC (US) 2026-04-30 US disclosed
WO-2026090571-A1 APYRASE INHIBITORS TEXAS CROP SCIENCE, INC. (US) 2026-04-30 WO disclosed
WO-2015050379-A1 NOVEL QUINOLINONE DERIVATIVE AND USE THEREOF 광주과학기술원 2015-04-09 WO 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-20260116873-A1 APYRASE INHIBITORS APEH, AP3M1, SRR CNR2 1217/4885NPC1 3027/4885RAB9A 1652/4885

“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.