SCHEMBL32690697

SCHEMBL32690697

O=c1c(O)c(-c2ccccc2C(F)(F)F)[nH]c2cccc([N+](=O)[O-])c12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.46
▸ PARP1 P09874 3/20 0.40
▸ CDK2 P24941 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.38
▸ GRIN2D O15399 2/20 0.37
▸ GRIN3B O60391 2/20 0.37
▸ GRIN1 Q05586 2/20 0.37
▸ GRIN2A Q12879 2/20 0.37
▸ GRIN2B Q13224 2/20 0.37
▸ GRIN2C Q14957 2/20 0.37
▸ GRIN3A Q8TCU5 2/20 0.37
▸ GPR35 Q9HC97 1/20 0.37
▸ CNR1 P21554 1/20 0.35
▸ EIF4E P06730 1/20 0.35
▸ MGAM O43451 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ SI P14410 1/20 0.35
▸ MGAM2 Q2M2H8 1/20 0.35
▸ PTPN11 Q06124 1/20 0.35
▸ STK10 O94804 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
SCHEMBL32690669 0.84 PARP1 (0.46) KMT2APARP1ALDH1A1GPR35
SCHEMBL32690700 0.81 PARP1 (0.40) PARP1STK10SLKCHEK1WEE1
SCHEMBL32690742 0.76 CTSV (0.55) KMT2APARP1CDK2ALDH1A1
SCHEMBL32690752 0.76 CTSV (0.46) KMT2APARP1CDK2ALDH1A1GPR35
SCHEMBL32690837 0.71 HDAC1 (0.41) KMT2AALDH1A1GAA
SCHEMBL5142127 0.70 CTSV (0.55) KMT2APARP1ALDH1A1GRIN2DGRIN3B
SCHEMBL6371400 0.70 ALDH1A1 (0.53) KMT2AALDH1A1EIF4EMGAMGAA
SCHEMBL103562 0.70 GPR35 (0.64) KMT2AALDH1A1GPR35
SCHEMBL32690789 0.69 POLB (0.46) KMT2APARP1ALDH1A1STK10SLK
SCHEMBL32690833 0.68 AR (0.51) KMT2APARP1ALDH1A1GAASTK10

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 KMT2A 463/4885PARP1 113/4885CDK2 2888/4885

“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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