SCHEMBL32690752

SCHEMBL32690752

O=c1c(O)c(-c2ccccc2C(F)(F)F)[nH]c2cc([N+](=O)[O-])ccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSV O60911 2/20 0.46
▸ CTSL P07711 2/20 0.46
▸ CDK5 Q00535 4/20 0.44
▸ CDK5R1 Q15078 4/20 0.44
▸ KIF11 P52732 1/20 0.43
▸ PARP1 P09874 3/20 0.42
▸ MAPK1 P28482 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ S100A4 P26447 1/20 0.41
▸ FASN P49327 1/20 0.41
▸ GSK3A P49840 2/20 0.40
▸ GSK3B P49841 2/20 0.40
▸ CCNE1 P24864 2/20 0.40
▸ CDK2 P24941 2/20 0.40
▸ CDC7 O00311 1/20 0.40
▸ PLK4 O00444 1/20 0.40
▸ IKBKB O14920 1/20 0.40
▸ PDPK1 O15530 1/20 0.40
▸ ROCK2 O75116 1/20 0.40
▸ CCNB2 O95067 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
SCHEMBL32690742 0.91 CTSV (0.55) CTSVCTSLCDK5CDK5R1KIF11
SCHEMBL32690833 0.81 AR (0.51) CDK5CDK5R1KIF11PARP1ALDH1A1
SCHEMBL32690672 0.81 PTGES (0.44) CDK5CDK5R1MAPK1GSK3AGSK3B
SCHEMBL32690669 0.79 PARP1 (0.46) PARP1MAPK1ALDH1A1KMT2AGPR35
SCHEMBL32690697 0.76 KMT2A (0.46) PARP1ALDH1A1CDK2KMT2AGPR35
SCHEMBL32690699 0.76 CTSV (0.59) CTSVCTSLCDK5CDK5R1PARP1
SCHEMBL23270975 0.75 TRPA1 (0.44) CTSVCTSLALDH1A1MEN1KMT2A
SCHEMBL32690706 0.74 AR (0.51) CDK5CDK5R1KIF11PARP1ALDH1A1
SCHEMBL32690692 0.74 CHEK1 (0.43) CDK5CDK5R1MAPK1ALDH1A1GSK3A
Hydrochloric Acid SCHEMBL23271094 0.74 TRPA1 (0.43) CTSVCTSLALDH1A1MEN1KMT2A

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-20260085046-A1 Dual Function Compounds For NADPH Oxidase Inhibition And Histone Deacetylase Inhibition TAIWANJ PHARMACEUTICALS CO LTD (TW) 2026-03-26 — — 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-20260085046-A1 Dual Function Compounds For NADPH Oxidase Inhibition And Histone Deacetylase Inhibition NOX1, NOX4, CYBB CTSV 2941/4885CTSL 2953/4885CDK5 1932/4885

“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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