SCHEMBL29617487

SCHEMBL29617487

O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1cc([N+](=O)[O-])ccc1O

nearest known ligand 0.88

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.88
MEN1 O00255 5/20 0.88
MAPT P10636 4/20 0.88
SMN1; SMN2 Q16637 3/20 0.88
NPC1 O15118 3/20 0.88
RAB9A P51151 3/20 0.88
MAPK1 P28482 2/20 0.88
LMNA P02545 2/20 0.88
HTT P42858 2/20 0.88
AURKA O14965 1/20 0.88
PDPK1 O15530 1/20 0.88
JAK2 O60674 1/20 0.88
GMNN O75496 1/20 0.88
ALDH1A1 P00352 1/20 0.88
EGFR P00533 1/20 0.88
TP53 P04637 1/20 0.88
CYP1A2 P05177 1/20 0.88
LYN P07948 1/20 0.88
CHRM2 P08172 1/20 0.88
CYP3A4 P08684 1/20 0.88

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
SCHEMBL22032660 1.00 KMT2A (0.88) KMT2AMEN1MAPTSMN1; SMN2NPC1
Niclosamide SCHEMBL28313524 0.93 KMT2A (1.00) KMT2AMEN1MAPTSMN1; SMN2NPC1
Niclosamide SCHEMBL27365268 0.93 KMT2A (1.00) KMT2AMEN1MAPTSMN1; SMN2NPC1
Niclosamide SCHEMBL6662409 0.93 KMT2A (1.00) KMT2AMEN1MAPTSMN1; SMN2NPC1
Niclosamide SCHEMBL29363878 0.93 KMT2A (1.00) KMT2AMEN1MAPTSMN1; SMN2NPC1
SCHEMBL25346525 0.93 KMT2A (0.81) KMT2AMEN1MAPTSMN1; SMN2NPC1
Niclosamide SCHEMBL67182 0.93 KMT2A (1.00) KMT2AMEN1MAPTSMN1; SMN2NPC1
Niclosamide SCHEMBL31098821 0.92 KMT2A (0.97) KMT2AMEN1MAPTSMN1; SMN2NPC1
Niclosamide SCHEMBL2061202 0.92 KMT2A (0.97) KMT2AMEN1MAPTSMN1; SMN2NPC1
Niclosamide SCHEMBL27937315 0.92 KMT2A (0.97) KMT2AMEN1MAPTSMN1; SMN2NPC1

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
WO-2022109148-A1 SMALL MOLECULE INHIBITORS OF SARS-COV-2 INFECTIONS THE USA, AS REPRESENTED BY THE SECRETARY, DEPT. OF HEALTH AND HUMAN SERVICES (US) 2022-05-27 WO 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 KMT2A 2983/4885MEN1 4741/4885MAPT 2694/4885

“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.