Sugi Predict

Sugi Predict / Compounds / SCHEMBL10694677

SCHEMBL10694677

SCHEMBL10694677

O=[N+]([O-])c1ccc(-c2nc3ccccc3[nH]2)o1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 2/20 1.00
▸ MMP9 P14780 2/20 1.00
▸ MMP8 P22894 2/20 1.00
▸ MMP13 P45452 1/20 1.00
▸ NPC1 O15118 9/20 0.50
▸ RAB9A P51151 9/20 0.50
▸ SMN1; SMN2 Q16637 5/20 0.50
▸ KDM4E B2RXH2 5/20 0.50
▸ ALDH1A1 P00352 5/20 0.50
▸ MAPT P10636 4/20 0.50
▸ TP53 P04637 4/20 0.50
▸ PKM P14618 3/20 0.50
▸ HSD17B10 Q99714 3/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ NPSR1 Q6W5P4 2/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ LMNA P02545 1/20 0.50
▸ XBP1 P17861 1/20 0.50
▸ RXFP1 Q9HBX9 1/20 0.50
▸ MITF O75030 1/20 0.50

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 0.82 MMP2 (0.70) MMP2MMP9MMP8MMP13NPC1
SCHEMBL10690246 0.81 MMP2 (0.68) MMP2MMP9MMP8MMP13NPC1
SCHEMBL30360160 0.81 MMP2 (0.68) MMP2MMP9MMP8MMP13NPC1
SCHEMBL10688373 0.81 MMP2 (0.68) MMP2MMP9MMP8MMP13NPC1
SCHEMBL10691037 0.81 MMP2 (0.68) MMP2MMP9MMP8MMP13NPC1
SCHEMBL8344938 0.81 NPC1 (0.69) MMP2MMP9MMP8MMP13NPC1
SCHEMBL12713529 0.79 MMP2 (0.64) MMP2MMP9MMP8MMP13NPC1
SCHEMBL1609480 0.79 MMP2 (0.64) MMP2MMP9MMP8MMP13NPC1
SCHEMBL7461639 0.78 MMP2 (0.64) MMP2MMP9MMP8MMP13NPC1
SCHEMBL10689852 0.78 MMP2 (0.64) MMP2MMP9MMP8MMP13CHEK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240084343-A1 METHODS OF USING NATURAL AND ENGINEERED ORGANISMS TO PRODUCE SMALL MOLECULES FOR INDUSTRIAL APPLICATION KIVERDI INC (US) 2024-03-14 — — US disclosed
US-20210115481-A1 Methods of Using Natural and Engineered Organisms to Produce Small Molecules for Industrial Application KIVERDI INC (US) 2021-04-22 — — US disclosed
US-20170159087-A1 Methods of Using Natural and Engineered Organisms to Produce Small Molecules for Industrial Application KIVERDI, INC. (US) 2017-06-08 — — US disclosed
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-9556462-B2 Methods of using natural and engineered organisms to produce small molecules for industrial application KIVERDI, INC. (US) 2017-01-31 — — US disclosed
EP-2971023-A2 METHODS OF USING NATURAL AND ENGINEERED ORGANISMS TO PRODUCE SMALL MOLECULES FOR INDUSTRIAL APPLICATION Kiverdi, Inc. (US) 2016-01-20 — — EP disclosed
WO-2014145194-A2 METHODS OF USING NATURAL AND ENGINEERED ORGANISMS TO PRODUCE SMALL MOLECULES FOR INDUSTRIAL APPLICATION KIVERDI, INC. (US) 2014-09-18 — — WO disclosed
US-20140273112-A1 METHODS OF USING NATURAL AND ENGINEERED ORGANISMS TO PRODUCE SMALL MOLECULES FOR INDUSTRIAL APPLICATION KIVERDI, INC. (US) 2014-09-18 — — 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
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
CN-101434601-A 2-furyl-1H-benzimidazole-4-acidamide type derivative UNIV SHANGHAI JIAOTONG (CN) 2009-05-20 — — CN 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.