SCHEMBL32690805

SCHEMBL32690805

COC(=O)/C=C/c1ccc(CNc2ccc3c(=O)c(O)c(-c4ccccc4C(F)(F)F)[nH]c3c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 3/20 0.45
▸ CCNB2 O95067 1/20 0.40
▸ CDK1 P06493 1/20 0.40
▸ CCNB1 P14635 1/20 0.40
▸ GSK3B P49841 1/20 0.40
▸ CDK5 Q00535 1/20 0.40
▸ CDK5R1 Q15078 1/20 0.40
▸ CCNB3 Q8WWL7 1/20 0.40
▸ HDAC1 Q13547 10/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ ESR1 P03372 1/20 0.36
▸ ALOX5 P09917 1/20 0.36
▸ FFAR1 O14842 1/20 0.36
▸ NR1H2 P55055 2/20 0.36
▸ NR1H3 Q13133 2/20 0.36
▸ HDAC3 O15379 1/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.35

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
SCHEMBL32690748 0.94 CCNB2 (0.43) ARCCNB2CDK1CCNB1GSK3B
SCHEMBL32690668 0.90 AR (0.46) ARHDAC1HDAC3HDAC6
SCHEMBL32690720 0.87 CCNB2 (0.45) CCNB2CDK1CCNB1GSK3BCDK5
SCHEMBL32690744 0.86 CCNB2 (0.42) CCNB2CDK1CCNB1GSK3BCDK5
SCHEMBL32690736 0.86 AR (0.48) ARKDM4ENPC1HTTRAB9A
SCHEMBL32690856 0.85 HDAC1 (0.40) CCNB2CDK1CCNB1GSK3BCDK5
SCHEMBL32690745 0.85 USP1 (0.38) CCNB2CDK1CCNB1GSK3BCDK5
SCHEMBL32690769 0.84 HDAC1 (0.47) ARHDAC1HDAC3HDAC6
SCHEMBL32690823 0.83 AR (0.49) ARHDAC1KDM4ENPC1HTT
SCHEMBL32690662 0.82 CCNB2 (0.49) CCNB2CDK1CCNB1GSK3BCDK5

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 AR 532/4885CCNB2 3869/4885CDK1 2371/4885

“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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