SCHEMBL26980461

SCHEMBL26980461

O=C(Nc1c(Cl)cc([N+](=O)[O-])cc1Cl)c1cc(Cl)ccc1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RX1 P51575 7/20 0.74
▸ ALDH1A1 P00352 2/20 0.73
▸ LMNA P02545 2/20 0.73
▸ MAPT P10636 2/20 0.73
▸ PKM P14618 2/20 0.73
▸ MAPK1 P28482 2/20 0.73
▸ BLM P54132 2/20 0.73
▸ TDP1 Q9NUW8 2/20 0.73
▸ MEN1 O00255 1/20 0.73
▸ AURKA O14965 1/20 0.73
▸ NPC1 O15118 1/20 0.73
▸ PDPK1 O15530 1/20 0.73
▸ JAK2 O60674 1/20 0.73
▸ GMNN O75496 1/20 0.73
▸ EGFR P00533 1/20 0.73
▸ TP53 P04637 1/20 0.73
▸ CYP1A2 P05177 1/20 0.73
▸ LYN P07948 1/20 0.73
▸ CHRM2 P08172 1/20 0.73
▸ CYP3A4 P08684 1/20 0.73

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
SCHEMBL30771720 1.00 P2RX1 (0.74) P2RX1ALDH1A1LMNAMAPTPKM
SCHEMBL8916846 0.84 P2RX1 (0.66) P2RX1ALDH1A1LMNAMAPTPKM
Niclosamide SCHEMBL28313524 0.84 KMT2A (1.00) P2RX1ALDH1A1LMNAMAPTPKM
Niclosamide SCHEMBL27365268 0.84 KMT2A (1.00) P2RX1ALDH1A1LMNAMAPTPKM
Niclosamide SCHEMBL29363878 0.84 KMT2A (1.00) P2RX1ALDH1A1LMNAMAPTPKM
Niclosamide SCHEMBL6662409 0.84 KMT2A (1.00) P2RX1ALDH1A1LMNAMAPTPKM
Niclosamide SCHEMBL67182 0.84 KMT2A (1.00) P2RX1ALDH1A1LMNAMAPTPKM
Niclosamide SCHEMBL31098821 0.83 KMT2A (0.97) P2RX1ALDH1A1LMNAMAPTPKM
Niclosamide SCHEMBL2061202 0.83 KMT2A (0.97) P2RX1ALDH1A1LMNAMAPTPKM
Niclosamide SCHEMBL27937315 0.83 KMT2A (0.97) P2RX1ALDH1A1LMNAMAPTPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240002332-A1 Small Molecule Inhibitors of SARS-CoV-2 Infections THE FLORIDA STATE UNIVERSITY RESEARCH FOUNDATION 2024-01-04 — — US claimed
US-20240002332-A1 Small Molecule Inhibitors of SARS-CoV-2 Infections THE FLORIDA STATE UNIVERSITY RESEARCH FOUNDATION 2024-01-04 — — 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-20240002332-A1 Small Molecule Inhibitors of SARS-CoV-2 Infections ACE2, ACE, TMPRSS2 P2RX1 2669/4885ALDH1A1 1446/4885LMNA 4211/4885

“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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