SCHEMBL6577708

SCHEMBL6577708

O=C=NC(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CES1 P23141 2/20 0.57
▸ CA1 P00915 2/20 0.55
▸ CA2 P00918 2/20 0.55
▸ TDP1 Q9NUW8 1/20 0.55
▸ MAPK1 P28482 2/20 0.53
▸ ALDH1A1 P00352 2/20 0.53
▸ TSHR P16473 1/20 0.53
▸ CES2 O00748 1/20 0.50
▸ SRD5A2 P31213 1/20 0.50
▸ GSK3B P49841 1/20 0.49
▸ LMNA P02545 1/20 0.49
▸ GAA P10253 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ POLB P06746 2/20 0.46
▸ MAPT P10636 2/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ CRHBP P24387 1/20 0.45
▸ CRHR2 Q13324 1/20 0.45
▸ HSP90AA1 P07900 1/20 0.45

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
SCHEMBL2370786 0.84 CES1 (0.55) CES1CA1CA2TDP1MAPK1
SCHEMBL6997964 0.80 CES2 (0.62) CES1ALDH1A1TSHRCES2LMNA
SCHEMBL22754110 0.79 CES1 (0.63) CES1CA1CA2TDP1MAPK1
SCHEMBL10489348 0.77 MAPK1 (0.62) CES1CA1CA2TDP1MAPK1
SCHEMBL10354339 0.75 CES2 (0.52) TDP1MAPK1ALDH1A1TSHRCES2
SCHEMBL1789385 0.74 RORC (0.51) MAPK1TSHRLMNAGAAMAPT
SCHEMBL4603989 0.73 CES1 (1.00) CES1CA1CA2TDP1MAPK1
SCHEMBL10723714 0.73 SRD5A2 (0.83) CES1CA1CA2TDP1MAPK1
SCHEMBL975118 0.73 SRD5A2 (0.83) CES1CA1CA2TDP1MAPK1
SCHEMBL10489434 0.73 MAPK1 (0.56) CES1CA1CA2TDP1MAPK1

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4310459-A Process for producing carbamoyl substituted penams and carbamoyl substituted cephams from penicillin sulfoxide esters BRISTOL-MYERS COMPANY (US) 1982-01-12 — — US claimed
US-20160339000-A1 TRIAZOLONE COMPOUNDS AS mPGES-1 INHIBITORS Ichnos Sciences SA (CH) 2016-11-24 — — US disclosed
US-9439890-B2 Triazolone compounds as mPGES-1 inhibitors GLENMARK PHARMACEUTICALS S.A. (CH) 2016-09-13 — — US disclosed
US-20150283117-A1 TRIAZOLONE COMPOUNDS AS mPGES-1 INHIBITORS Ichnos Sciences SA (CH) 2015-10-08 — — US disclosed
US-9096545-B2 Triazolone compounds as mPGES-1 inhibitors GLENMARK PHARMACEUTICALS S.A. (CH) 2015-08-04 — — US disclosed
US-20150087646-A1 TRIAZOLONE COMPOUNDS AS mPGES-1 INHIBITORS GLENMARK PHARMACEUTICALS S.A. (CH) 2015-03-26 — — US disclosed
EP-0737680-B1 (Phenylalkylaminoalkyloxyl)-hetero-aryl compounds, processes and intermediates for their preparation and medicaments containing these compounds SOLVAY PHARM GMBH (DE) 2004-03-03 — — EP disclosed
EP-0874809-B1 CARBAMOYLOXY DERIVATIVES OF MUTILINE AND THEIR USE AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 2003-08-27 — — EP disclosed
US-6239175-B1 Carbamoyloxy derivatives of mutiline and their use as antibacterials SMITHKLINE BEECHAM P.L.C. (GB) 2001-05-29 — — US disclosed
US-6020368-A MICROBIOCIDES HINKS JEREMY DAVID (US) 2000-02-01 — — US disclosed
US-4565648-A FOR PRODUCTION OF POLYURETHANES BAYER AKTIENGESELLSCHAFT (DE) 1986-01-21 — — US disclosed
US-4518773-A \"3-Carbamoyloxy cephalosporins\ BRISTOL-MYERS COMPANY (US) 1985-05-21 — — US disclosed
EP-0122449-A1 Benzoyl ureas BAYER AG (DE) 1984-10-24 — — EP disclosed
EP-0103738-A2 Use of carbonyl compounds and/or heteroanalogous carbonyl compounds as stabilisers for solutions containing pyrocarbonic-acid dialkyl esters, and polyisocyanate preparations containing these compounds BAYER AG (DE) 1984-03-28 — — EP disclosed
US-4426520-A CEPHALOSPORIN ANTIBIOTICS BRISTOL-MYERS COMPANY (US) 1984-01-17 — — US disclosed
US-4407755-A BACTERICIDAL PENICILLINS BRISTOL-MYERS COMPANY (US) 1983-10-04 — — US disclosed
US-4374982-A Cepham compounds BRISTOL-MYERS COMPANY (US) 1983-02-22 — — US disclosed
US-4322347-A 2-Carbamoyloxymethyl-penicillin derivatives BRISTOL-MYERS COMPANY (US) 1982-03-30 — — US disclosed
US-4310459-A Process for producing carbamoyl substituted penams and carbamoyl substituted cephams from penicillin sulfoxide esters BRISTOL-MYERS COMPANY (US) 1982-01-12 — — US disclosed
US-4061630-A 7-Substituted-ureido-3-carbamoyloxymethyl cephalosporin antibiotics ELI LILLY AND COMPANY (US) 1977-12-06 — — 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 (3 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-20150283117-A1 TRIAZOLONE COMPOUNDS AS mPGES-1 INHIBITORS PTGES, PTGIS, PTGS1 CES1 291/4885CA1 3662/4885CA2 3726/4885
US-20160339000-A1 TRIAZOLONE COMPOUNDS AS mPGES-1 INHIBITORS PTGES, PTGS1, PTGIS CES1 148/4885CA1 2987/4885CA2 3208/4885
US-20150087646-A1 TRIAZOLONE COMPOUNDS AS mPGES-1 INHIBITORS PTGES, PTGS1, PTGIS CES1 148/4885CA1 2987/4885CA2 3208/4885

“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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