SCHEMBL22925919

SCHEMBL22925919

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 1/20 0.44
▸ MMP9 P14780 1/20 0.44
▸ MMP8 P22894 1/20 0.44
▸ PDE2A O00408 1/20 0.43
▸ HDAC3 O15379 6/20 0.43
▸ HDAC1 Q13547 6/20 0.43
▸ HDAC2 Q92769 6/20 0.43
▸ HDAC4 P56524 5/20 0.43
▸ HDAC7 Q8WUI4 5/20 0.43
▸ HDAC10 Q969S8 5/20 0.43
▸ HDAC11 Q96DB2 5/20 0.43
▸ HDAC8 Q9BY41 5/20 0.43
▸ HDAC6 Q9UBN7 5/20 0.43
▸ HDAC9 Q9UKV0 5/20 0.43
▸ HDAC5 Q9UQL6 5/20 0.43
▸ EPHX2 P34913 3/20 0.41
▸ TRPV1 Q8NER1 3/20 0.41
▸ NR1H4 Q96RI1 1/20 0.40
▸ HRH3 Q9Y5N1 1/20 0.40
▸ NPC1 O15118 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
SCHEMBL14922097 0.80 HDAC3 (0.59) HDAC3HDAC1HDAC2HDAC4HDAC7
SCHEMBL22925495 0.80 PTPN1 (0.54) MMP2MMP8PDE2AHDAC1HDAC8
SCHEMBL8288215 0.77 HDAC3 (0.59) MMP2MMP9MMP8HDAC3HDAC1
SCHEMBL13817452 0.77 NPC1 (0.50) NPC1RAB9A
SCHEMBL26915349 0.76 TDP1 (0.52) NPC1RAB9A
SCHEMBL28214996 0.75 NPC1 (0.48) NPC1RAB9A
SCHEMBL28984896 0.75 GSK3B (0.52) HDAC3HDAC1HDAC2HDAC4HDAC7
SCHEMBL29270181 0.75 PDE2A (0.45) PDE2AHDAC3HDAC1HDAC2EPHX2
SCHEMBL14466949 0.74 GSK3B (0.52) NPC1RAB9A
SCHEMBL3638164 0.74 MMP2 (0.50) MMP2MMP9MMP8HDAC3HDAC1

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
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
EP-4003986-A1 INHIBITOR COMPOUNDS Cincera Therapeutics Pty Ltd (AU) 2022-06-01 — — EP 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 (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-20220274970-A1 INHIBITOR COMPOUNDS SERPINB1, MMP1, SSB MMP2 187/4885MMP9 228/4885MMP8 4/4885

“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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