SCHEMBL29936995

SCHEMBL29936995

Cc1cc([N+](=O)[O-])c(F)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 3/20 0.46
▸ ATM Q13315 1/20 0.46
▸ ESPL1 Q14674 1/20 0.45
▸ ALDH1A1 P00352 4/20 0.44
▸ HIF1A Q16665 2/20 0.44
▸ CYP1A2 P05177 1/20 0.43
▸ VCAM1 P19320 1/20 0.42
▸ TSHR P16473 4/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ PPIA P62937 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.39
▸ CYP3A4 P08684 3/20 0.39
▸ HPGD P15428 2/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ TXNRD1 Q16881 1/20 0.39
▸ TXNRD3 Q86VQ6 1/20 0.39
▸ TXNRD2 Q9NNW7 1/20 0.39

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
SCHEMBL600893 1.00 TDP1 (0.46) TDP1ATMESPL1ALDH1A1HIF1A
Hydrochloric Acid SCHEMBL28508306 0.98 TDP1 (0.44) TDP1ATMESPL1ALDH1A1HIF1A
SCHEMBL29739473 0.92 TDP1 (0.46) TDP1ATMESPL1ALDH1A1HIF1A
SCHEMBL600922 0.92 TDP1 (0.46) TDP1ATMESPL1ALDH1A1HIF1A
SCHEMBL31693512 0.85 TSHR (0.46) TDP1ATMALDH1A1HIF1ACYP1A2
SCHEMBL214031 0.85 TSHR (0.46) TDP1ATMALDH1A1HIF1ACYP1A2
SCHEMBL772624 0.84 CYP1A2 (0.48) TDP1ALDH1A1CYP1A2TSHRMAPK1
SCHEMBL12593915 0.84 TDP1 (0.52) TDP1ATMESPL1ALDH1A1HIF1A
SCHEMBL29580289 0.84 TDP1 (0.52) TDP1ATMESPL1ALDH1A1HIF1A
SCHEMBL14578462 0.84 TDP1 (0.52) TDP1ATMESPL1ALDH1A1HIF1A

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
US-20260022122-A1 NOVEL COMPOUND FOR INHIBITING NAMPT, AND COMPOSITION INCLUDING SAME CHECKMATE THERAPEUTICS INC. (KR) 2026-01-22 — — US disclosed
EP-4322954-A1 SMALL MOLECULE INHIBITORS OF KRAS G12D MUTANT Merck Sharp & Dohme LLC (US) 2024-02-21 — — EP disclosed
WO-2023039240-A9 IRREVERSIBLE INHIBITORS OF KRas BIOMEA FUSION, INC. (US) 2023-06-01 — — WO disclosed
WO-2023039240-A1 IRREVERSIBLE INHIBITORS OF KRas BIOMEA FUSION, INC. (US) 2023-03-16 — — WO disclosed
WO-2022221739-A1 SMALL MOLECULE INHIBITORS OF KRAS G12D MUTANT MERCK SHARP & DOHME CORP. (US) 2022-10-20 — — 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-20260022122-A1 NOVEL COMPOUND FOR INHIBITING NAMPT, AND COMPOSITION INCLUDING SAME NAMPT, NAPRT, NNT TDP1 3871/4885ATM 4261/4885ESPL1 4638/4885

“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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