SCHEMBL10690246

SCHEMBL10690246

O=[N+]([O-])c1ccc(-c2nc3cc(Cl)ccc3[nH]2)o1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 3/20 0.68
MMP9 P14780 3/20 0.68
MMP8 P22894 3/20 0.68
MMP13 P45452 2/20 0.68
NPBWR1 P48145 8/20 0.44
MAPT P10636 3/20 0.44
NPC1 O15118 2/20 0.44
HTT P42858 2/20 0.44
RAB9A P51151 2/20 0.44
MEN1 O00255 2/20 0.44
ALDH1A1 P00352 2/20 0.44
HPGD P15428 2/20 0.44
KMT2A Q03164 2/20 0.44
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CHEK1 O14757 1/20 0.40
LIMK1 P53667 1/20 0.40
CDK5 Q00535 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
SLC2A1 P11166 2/20 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
SCHEMBL10689470 0.86 MMP2 (0.70) MMP2MMP9MMP8MMP13NPBWR1
SCHEMBL10688373 0.85 MMP2 (0.68) MMP2MMP9MMP8MMP13NPBWR1
SCHEMBL10691037 0.85 MMP2 (0.68) MMP2MMP9MMP8MMP13NPBWR1
SCHEMBL7461639 0.81 MMP2 (0.64) MMP2MMP9MMP8MMP13NPBWR1
SCHEMBL10689852 0.81 MMP2 (0.64) MMP2MMP9MMP8MMP13NPBWR1
SCHEMBL10694677 0.81 MMP2 (1.00) MMP2MMP9MMP8MMP13NPBWR1
SCHEMBL30360160 0.77 MMP2 (0.68) MMP2MMP9MMP8MMP13NPBWR1
SCHEMBL18906377 0.77 ALDH1A1 (0.47) MMP2MMP9MMP8MMP13MAPT
SCHEMBL3337969 0.77 MAPT (0.49) MMP2MMP9MMP8MMP13MAPT
SCHEMBL5758635 0.75 NPBWR1 (0.71) MMP2MMP9MMP8MMP13NPBWR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9617249-B2 Benzoheterocyclic anti-bacterial agents UNIVERSITY OF NOTRE DAME DU LAC (US) 2017-04-11 US disclosed
US-9617249-B2 Benzoheterocyclic anti-bacterial agents UNIVERSITY OF NOTRE DAME DU LAC (US) 2017-04-11 US disclosed
US-20130143841-A1 BENZOHETEROCYCLIC ANTI-BACTERIAL AGENTS UNIVERSITY OF NOTRE DAME DU LAC (US) 2013-06-06 US disclosed
US-20130143841-A1 BENZOHETEROCYCLIC ANTI-BACTERIAL AGENTS UNIVERSITY OF NOTRE DAME DU LAC (US) 2013-06-06 US disclosed
US-8362268-B2 Anti-bacterial agents from benzo[d]heterocyclic scaffolds for prevention and treatment of multidrug resistant bacteria UNIVERSITY OF NOTRE DAME DU LAC (US) 2013-01-29 US disclosed
US-8362268-B2 Anti-bacterial agents from benzo[d]heterocyclic scaffolds for prevention and treatment of multidrug resistant bacteria UNIVERSITY OF NOTRE DAME DU LAC (US) 2013-01-29 US disclosed
US-20110086817-A1 ANTI-BACTERIAL AGENTS FROM BENZO[D]HETEROCYCLIC SCAFFOLDS FOR PREVENTION AND TREATMENT OF MULTIDRUG RESISTANT BACTERIA UNIVERSITY OF NOTRE DAME DU LAC (US) 2011-04-14 US disclosed
US-20110086817-A1 ANTI-BACTERIAL AGENTS FROM BENZO[D]HETEROCYCLIC SCAFFOLDS FOR PREVENTION AND TREATMENT OF MULTIDRUG RESISTANT BACTERIA UNIVERSITY OF NOTRE DAME DU LAC (US) 2011-04-14 US disclosed
WO-2009158118-A2 ANTI-BACTERIAL AGENTS FROM BENZO[D]HETEROCYCLIC SCAFFOLDS FOR PREVENTION AND TREATMENT OF MULTIDRUG RESISTANT BACTERIA UNIVERSITY OF NOTRE DAME DU LAC (US) 2009-12-30 WO disclosed
EP-0252028-A1 Process for preparing nitrofurylbenzimidazoles and pharmaceutical compositions having antimycotic, antibacterial and antitubercular activities containing same Sigma-Tau Industrie Farmaceutiche Riunite S.p.A. (IT) 1988-01-07 EP 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 (2 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-20110086817-A1 ANTI-BACTERIAL AGENTS FROM BENZO[D]HETEROCYCLIC SCAFFOLDS FOR PREVENTION AND TREATMENT OF MULTIDRUG RESISTANT BACTERIA SBDS, PYCARD, AAAS MMP2 1149/4885MMP9 893/4885MMP8 451/4885
US-20130143841-A1 BENZOHETEROCYCLIC ANTI-BACTERIAL AGENTS MRPL21, BCOR, BCR MMP2 1193/4885MMP9 1138/4885MMP8 322/4885

“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.