SCHEMBL8060476

SCHEMBL8060476

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.78
MAPT P10636 5/20 0.78
MEN1 O00255 5/20 0.78
SMN1; SMN2 Q16637 4/20 0.78
NPC1 O15118 4/20 0.78
RAB9A P51151 4/20 0.78
MAPK1 P28482 3/20 0.78
LMNA P02545 2/20 0.78
HTT P42858 2/20 0.78
PKM P14618 2/20 0.78
AURKA O14965 1/20 0.78
PDPK1 O15530 1/20 0.78
JAK2 O60674 1/20 0.78
GMNN O75496 1/20 0.78
ALDH1A1 P00352 1/20 0.78
EGFR P00533 1/20 0.78
TP53 P04637 1/20 0.78
CYP1A2 P05177 1/20 0.78
LYN P07948 1/20 0.78
CHRM2 P08172 1/20 0.78

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
SCHEMBL29617506 1.00 KMT2A (0.78) KMT2AMAPTMEN1SMN1; SMN2NPC1
SCHEMBL29617487 0.91 KMT2A (0.88) KMT2AMAPTMEN1SMN1; SMN2NPC1
SCHEMBL22032660 0.91 KMT2A (0.88) KMT2AMAPTMEN1SMN1; SMN2NPC1
SCHEMBL25350070 0.90 KMT2A (0.67) KMT2AMAPTMEN1SMN1; SMN2NPC1
SCHEMBL8057693 0.90 KMT2A (0.63) KMT2AMAPTMEN1SMN1; SMN2NPC1
Niclosamide SCHEMBL6662409 0.88 KMT2A (1.00) KMT2AMAPTMEN1SMN1; SMN2NPC1
SCHEMBL8059542 0.88 KMT2A (0.59) KMT2AMAPTMEN1SMN1; SMN2NPC1
Niclosamide SCHEMBL29363878 0.88 KMT2A (1.00) KMT2AMAPTMEN1SMN1; SMN2NPC1
SCHEMBL25346525 0.88 KMT2A (0.81) KMT2AMAPTMEN1SMN1; SMN2NPC1
Niclosamide SCHEMBL67182 0.88 KMT2A (1.00) KMT2AMAPTMEN1SMN1; 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 12 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
CN-111518147-A Benzoylanilide compound and application thereof in preparing sensitizer of pseudomonas aeruginosa inhibitor 华东理工大学 2020-08-11 CN disclosed
US-20130005802-A1 TREATMENT OF WNT/FRIZZLED-RELATED DISEASES DUKE UNIVERSITY 2013-01-03 US disclosed
US-8148328-B2 Salicylanilides enhance oral delivery of therapeutic peptides THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-04-03 US disclosed
US-8148328-B2 Salicylanilides enhance oral delivery of therapeutic peptides THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-04-03 US disclosed
US-20110183889-A1 SALICYLANILIDE MODIFIED PEPTIDES FOR USE AS ORAL THERAPEUTICS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-07-28 US disclosed
US-20110183889-A1 SALICYLANILIDE MODIFIED PEPTIDES FOR USE AS ORAL THERAPEUTICS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-07-28 US disclosed
US-20090163408-A1 SALICYLANILIDES ENHANCE ORAL DELIVERY OF THERAPEUTIC PEPTIDES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-06-25 US disclosed
US-20090163408-A1 SALICYLANILIDES ENHANCE ORAL DELIVERY OF THERAPEUTIC PEPTIDES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-06-25 US disclosed
WO-2009032749-A2 SALICYLANILIDE MODIFIED PEPTIDES FOR USE AS ORAL THERAPEUTICS THE REGENTS OF THE UNIVERSITY OF CALIFORNINA (US) 2009-03-12 WO disclosed
WO-2008021088-A2 SALICYLANILIDES ENHANCE ORAL DELIVERY OF THERAPEUTIC PEPTIDES THE REGENTS OF THE UNIVERSITY OF CALIFORNINA (US) 2008-02-21 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 (4 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 2983/4885MAPT 2694/4885MEN1 4741/4885
US-20130005802-A1 TREATMENT OF WNT/FRIZZLED-RELATED DISEASES WNT1, WNT3, SFRP1 KMT2A 1713/4885MAPT 1012/4885MEN1 521/4885
US-20090163408-A1 SALICYLANILIDES ENHANCE ORAL DELIVERY OF THERAPEUTIC PEPTIDES DNPEP, NGLY1, VIP KMT2A 3301/4885MAPT 2381/4885MEN1 3158/4885
US-20110183889-A1 SALICYLANILIDE MODIFIED PEPTIDES FOR USE AS ORAL THERAPEUTICS DNPEP, PTMS, NGLY1 KMT2A 2123/4885MAPT 3372/4885MEN1 1625/4885

“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.