SCHEMBL18435

SCHEMBL18435

COC(=O)c1ccc(O)cc1[N+](=O)[O-]

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.59
CA1 P00915 3/20 0.59
CA2 P00918 3/20 0.59
CA7 P43166 3/20 0.59
CA9 Q16790 3/20 0.59
CA14 Q9ULX7 3/20 0.59
PDK2 Q15119 1/20 0.59
PDK4 Q16654 1/20 0.59
GAA P10253 1/20 0.47
SIRT6 Q8N6T7 1/20 0.47
PDGFRB P09619 1/20 0.47
FGFR1 P11362 1/20 0.47
PDGFRA P16234 1/20 0.47
FLT1 P17948 1/20 0.47
FGFR3 P22607 1/20 0.47
KDR P35968 1/20 0.47
VCAM1 P19320 1/20 0.46
BACE1 P56817 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
ALDH1A1 P00352 1/20 0.44

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
Methane SCHEMBL27600491 0.98 CA12 (0.57) CA12CA1CA2CA7CA9
SCHEMBL268199 0.87 CA12 (0.59) CA12CA1CA2CA7CA9
SCHEMBL2721649 0.83 TSHR (0.55) SIRT6PDGFRBFGFR1PDGFRAFLT1
SCHEMBL30525281 0.83 VCAM1 (0.64) GAAPDGFRBFGFR1PDGFRAFLT1
SCHEMBL559830 0.83 VCAM1 (0.64) GAAPDGFRBFGFR1PDGFRAFLT1
SCHEMBL6960199 0.83 KDM4E (0.55) FLT1KDRTDP1ALDH1A1MEN1
SCHEMBL2126420 0.83 CA12 (0.62) CA12CA1CA2CA7CA9
SCHEMBL22749334 0.83 CYP1A2 (0.45) CA12CA1CA2CA7CA9
SCHEMBL1318248 0.82 ABCB1 (0.47) GAASIRT6PDGFRBFGFR1PDGFRA
SCHEMBL616603 0.82 GAA (0.63) GAASIRT6PDGFRBFGFR1PDGFRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250236810-A1 FRAGRANCE AND FLAVOR COMPOSITIONS COMPRISING BENZENE DERIVATIVES OSMO LABS, PBC 2025-07-24 US disclosed
US-20230357253-A1 AGONISTS OF STIMULATOR OF INTERFERON GENES STING THE SCRIPPS RESEARCH INSTITUTE 2023-11-09 US disclosed
CN-116940567-A Agonists of the interferon gene stimulator STING 斯克里普斯研究学院 2023-10-24 CN disclosed
US-11771694-B2 Arylamide compounds for treatment and prevention of viral infections INNOVATION PHARMACEUTICALS INC. (US) 2023-10-03 US disclosed
CN-113004286-B Tricyclic compounds as plasma kallikrein inhibitors and uses thereof 成都康弘药业集团股份有限公司 2022-08-12 CN disclosed
US-20210379058-A1 Arylamide Compounds For Treatment And Prevention Of Viral Infections INNOVATION PHARMACEUTICALS INC. 2021-12-09 US disclosed
WO-2021121396-A1 TRICYCLIC COMPOUND THAT ACTS AS PLASMA KALLIKREIN INHIBITOR AND USE THEREOF 成都康弘药业集团股份有限公司 2021-06-24 WO disclosed
CN-113004286-A Tricyclic compounds as plasma kallikrein inhibitors and uses thereof 成都康弘药业集团股份有限公司 2021-06-22 CN disclosed
WO-2021037090-A1 NAPHTHYLAMINE COMPOUND AND BIOLOGICALLY ACCEPTABLE SALT THEREOF, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF 河南省锐达医药科技有限公司 2021-03-04 WO disclosed
WO-2020246487-A1 COMPOUNDS HAVING DISPIRO DIKETOPIPERAZINE STRUCTURE 第一三共株式会社 2020-12-10 WO disclosed
EP-1608313-A2 FACIALLY AMPHIPHILIC POLYMERS AND OLIGOMERS AND USES THEREOF The Trustees of The University of Pennsylvania (US) 2005-12-28 EP disclosed
CN-1608053-A Heterocyclic derivatives of glycinamide and its pharmaceutical uses SMITHKLINE BEECHAM PLC (GB) 2005-04-20 CN disclosed
WO-2005030193-A1 4-(PHENYL-ETHYLIDENEAMINOXY-PROPOXY) -PHENYL-ACETIC ACID DERIVATIVES AND RELATED COMPOUNDS AS PAI-1 INHIBITORS FOR THE TREATMENT OF IMPAIRMENT OF THE FIBRINOLYTIC SYSTEM AND OF THROMBOSIS WYETH (US) 2005-04-07 WO disclosed
US-20050070584-A1 Substituted aryloximes WYETH (US) 2005-03-31 US disclosed
US-20050043335-A1 Such as N-methyl-2-(2-(2-(2,3-difluorophenyl)ethyl)-7-(3-dimethylaminoprop-1-yl)-4-oxo-4H-quinolin-1-yl)-N-(4-(4-trifluoromethylphenyl)benzyl)acetamide bitartrate; plateley activating factor acetylhydrolase inhibitors; for treatment of atherosclerosis SMITHKLINE BEECHAM PLC (GB) 2005-02-24 US disclosed
WO-2004082634-A2 FACIALLY AMPHIPHILIC POLYMERS AND OLIGOMERS AND USES THEREOF THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2004-09-30 WO disclosed
US-20040185257-A1 Microbiocide surfaces; contact antiseptic NSF - DEITR 2004-09-23 US disclosed
EP-1372551-A4 FACIALLY AMPHIPHILIC POLYMERS AS ANTI-INFECTIVE AGENTS UNIV PENNSYLVANIA (US) 2004-05-12 EP disclosed
EP-1372551-A2 FACIALLY AMPHIPHILIC POLYMERS AS ANTI-INFECTIVE AGENTS The University of Pennsylvania (US) 2004-01-02 EP disclosed
WO-2002100295-A2 FACIALLY AMPHIPHILIC POLYMERS AS ANTI-INFECTIVE AGENTS THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2002-12-19 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 (6 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-20050070584-A1 Substituted aryloximes AHR, NQO1, AOX1 CA12 1107/4885CA1 3384/4885CA2 2562/4885
US-20210379058-A1 Arylamide Compounds For Treatment And Prevention Of Viral Infections HAVCR2, EIF2AK2, IRF3 CA12 3986/4885CA1 4816/4885CA2 3951/4885
US-20050043335-A1 Such as N-methyl-2-(2-(2-(2,3-difluorophenyl)ethyl)-7-(3-dimethylaminoprop-1-yl)-4-oxo-4H-quinolin-1-yl)-N-(4-(4-trifluoromethylphenyl)benzyl)acetamide bitartrate; plateley activating factor acetylhydrolase inhibitors; for treatment of atherosclerosis PLA2G7, PAFAH1B2, PLAAT2 CA12 4008/4885CA1 2205/4885CA2 1760/4885
US-20250236810-A1 FRAGRANCE AND FLAVOR COMPOSITIONS COMPRISING BENZENE DERIVATIVES BBOX1, NISCH, TAS2R4 CA12 4161/4885CA1 4567/4885CA2 4347/4885
US-20230357253-A1 AGONISTS OF STIMULATOR OF INTERFERON GENES STING STING1, IRF3, CGAS CA12 4850/4885CA1 4880/4885CA2 4518/4885
US-11771694-B2 Arylamide compounds for treatment and prevention of viral infections HAVCR2, EIF2AK2, IRF3 CA12 3986/4885CA1 4816/4885CA2 3951/4885

“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.