SCHEMBL31048876

SCHEMBL31048876

O=C(NO)c1cc(F)c(Cl)nc1Cl

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.65
NFE2L2 Q16236 1/20 0.65
HDAC1 Q13547 8/20 0.39
HDAC6 Q9UBN7 8/20 0.39
CTNNB1 P35222 1/20 0.38
TCF7L2 Q9NQB0 1/20 0.38
HDAC3 O15379 2/20 0.38
HDAC2 Q92769 2/20 0.38
POLB P06746 1/20 0.38
APEX1 P27695 1/20 0.38
HPGD P15428 1/20 0.37
ACKR3 P25106 1/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
MMP3 P08254 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
HDAC4 P56524 1/20 0.34

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
SCHEMBL24574228 0.84 KEAP1 (0.62) KEAP1NFE2L2CTNNB1TCF7L2POLB
SCHEMBL20788868 0.82 KEAP1 (0.61) KEAP1NFE2L2CTNNB1TCF7L2POLB
SCHEMBL25533073 0.81 KEAP1 (0.59) KEAP1NFE2L2CTNNB1TCF7L2POLB
SCHEMBL31048928 0.79 KEAP1 (0.71) KEAP1NFE2L2CTNNB1TCF7L2POLB
SCHEMBL919984 0.79 KEAP1 (0.71) KEAP1NFE2L2CTNNB1TCF7L2POLB
SCHEMBL29744459 0.79 KEAP1 (1.00) KEAP1NFE2L2CTNNB1TCF7L2POLB
SCHEMBL113812 0.79 KEAP1 (1.00) KEAP1NFE2L2CTNNB1TCF7L2POLB
Hydrochloric Acid SCHEMBL919985 0.77 KEAP1 (0.96) KEAP1NFE2L2CTNNB1TCF7L2POLB
SCHEMBL30474526 0.77 KEAP1 (0.69) KEAP1NFE2L2POLB
SCHEMBL166218 0.77 KEAP1 (0.69) KEAP1NFE2L2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4716531-A2 HETEROCYCLIC COMPOUNDS AS NRAS INHIBITORS Board of Regents, The University of Texas System (US) 2026-04-01 EP disclosed
US-20260070925-A1 HETEROCYCLIC COMPOUNDS AS NRAS INHIBITORS UNIV TEXAS (US) 2026-03-12 US disclosed
WO-2024243186-A2 HETEROCYCLIC COMPOUNDS AS NRAS INHIBITORS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2024-11-28 WO disclosed
WO-2024167922-A2 HETEROCYCLIC COMPOUNDS AS NRAS INHIBITORS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2024-08-15 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-20260070925-A1 HETEROCYCLIC COMPOUNDS AS NRAS INHIBITORS NRAS, KRAS, HRAS KEAP1 88/4885NFE2L2 1005/4885HDAC1 3806/4885

“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.