SCHEMBL22925495

SCHEMBL22925495

[N-]=[N+]=NCC(=O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 2/20 0.54
▸ GSK3B P49841 2/20 0.54
▸ CES2 O00748 2/20 0.48
▸ CES1 P23141 2/20 0.48
▸ MMP1 P03956 1/20 0.47
▸ HSD11B1 P28845 1/20 0.44
▸ HDAC1 Q13547 1/20 0.44
▸ HDAC8 Q9BY41 1/20 0.44
▸ SRD5A2 P31213 2/20 0.43
▸ MMP2 P08253 1/20 0.43
▸ MMP8 P22894 1/20 0.43
▸ PDPK1 O15530 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ PDE2A O00408 1/20 0.39
▸ NR4A1 P22736 1/20 0.39
▸ NR4A2 P43354 1/20 0.39
▸ NR4A3 Q92570 1/20 0.39

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
SCHEMBL13817452 0.81 NPC1 (0.50) PTPN1CES2CES1HSD11B1MAPT
SCHEMBL22925919 0.80 MMP2 (0.44) HDAC1HDAC8MMP2MMP8PDE2A
SCHEMBL28214996 0.79 NPC1 (0.48) PTPN1ALDH1A1MAPT
SCHEMBL28984896 0.79 GSK3B (0.52) GSK3BCES2CES1HSD11B1HDAC1
SCHEMBL16322250 0.77 ALDH1A1 (0.47) ALDH1A1MAPT
SCHEMBL14466949 0.77 GSK3B (0.52) GSK3BCES2CES1HSD11B1ALDH1A1
SCHEMBL34473284 0.77 MEN1 (0.38) GSK3BMAPT
SCHEMBL13857466 0.77 GSK3B (0.55) GSK3BCES2CES1HSD11B1HDAC1
SCHEMBL13525672 0.77 KMT2A (0.50) PTPN1GSK3BCES2CES1HDAC1
SCHEMBL27288031 0.75 CA2 (0.41) HSD11B1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260001870-A1 INHIBITOR COMPOUNDS Cincera Therapeutics Pty Ltd (AU) 2026-01-01 — — US disclosed
US-12448371-B2 Inhibitor compounds Cincera Therapeutics Pty Ltd (AU) 2025-10-21 — — US disclosed
CN-114450281-B Inhibitor compounds 辛塞拉治疗私人有限公司 2024-08-16 — — CN disclosed
US-20220274970-A1 INHIBITOR COMPOUNDS Cincera Therapeutics Pty Ltd (AU) 2022-09-01 — — US disclosed
US-20220274970-A1 INHIBITOR COMPOUNDS Cincera Therapeutics Pty Ltd (AU) 2022-09-01 — — US disclosed
CN-114450281-A Inhibitor compounds 辛塞拉治疗私人有限公司 2022-05-06 — — CN disclosed
WO-2021012018-A1 INHIBITOR COMPOUNDS Cincera Therapeutics Pty Ltd (AU) 2021-01-28 — — 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 (3 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-20220274970-A1 INHIBITOR COMPOUNDS SERPINB1, MMP1, SSB PTPN1 3149/4885GSK3B 605/4885CES2 1184/4885
US-20260001870-A1 INHIBITOR COMPOUNDS CES1, NCEH1, NR1H2 PTPN1 2493/4885GSK3B 2014/4885CES2 256/4885
US-12448371-B2 Inhibitor compounds SERPINB1, MMP1, SSB PTPN1 3149/4885GSK3B 605/4885CES2 1184/4885

“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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