SCHEMBL30771739

SCHEMBL30771739

O=C(Nc1cc([N+](=O)[O-])c(Cl)cc1F)c1cc(Cl)ccc1O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RX1 P51575 7/20 0.65
▸ KCNMA1 Q12791 6/20 0.65
▸ MEN1 O00255 1/20 0.62
▸ AURKA O14965 1/20 0.62
▸ NPC1 O15118 1/20 0.62
▸ PDPK1 O15530 1/20 0.62
▸ JAK2 O60674 1/20 0.62
▸ GMNN O75496 1/20 0.62
▸ ALDH1A1 P00352 1/20 0.62
▸ EGFR P00533 1/20 0.62
▸ LMNA P02545 1/20 0.62
▸ TP53 P04637 1/20 0.62
▸ CYP1A2 P05177 1/20 0.62
▸ LYN P07948 1/20 0.62
▸ CHRM2 P08172 1/20 0.62
▸ CYP3A4 P08684 1/20 0.62
▸ ADRA2A P08913 1/20 0.62
▸ CYP2D6 P10635 1/20 0.62
▸ MAPT P10636 1/20 0.62
▸ KIT P10721 1/20 0.62

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
SCHEMBL26979798 1.00 P2RX1 (0.65) P2RX1KCNMA1MEN1AURKANPC1
SCHEMBL26095536 0.84 KMT2A (0.77) P2RX1KCNMA1MEN1AURKANPC1
SCHEMBL8057066 0.82 MEN1 (0.78) P2RX1KCNMA1MEN1AURKANPC1
SCHEMBL30100393 0.82 MEN1 (0.78) P2RX1KCNMA1MEN1AURKANPC1
SCHEMBL23303584 0.81 P2RX1 (0.80) P2RX1KCNMA1MEN1AURKANPC1
SCHEMBL30771718 0.80 KCNMA1 (0.75) P2RX1KCNMA1MEN1AURKANPC1
SCHEMBL18341405 0.80 KCNMA1 (0.75) P2RX1KCNMA1MEN1AURKANPC1
SCHEMBL18341255 0.80 P2RX1 (0.74) P2RX1KCNMA1MEN1AURKANPC1
SCHEMBL31238369 0.79 TAS1R3 (0.86) P2RX1KCNMA1MEN1AURKANPC1
SCHEMBL8054842 0.79 P2RX1 (0.81) P2RX1KCNMA1MEN1AURKANPC1

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-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 2669/4885KCNMA1 3777/4885MEN1 4741/4885

“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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