Sugi Predict

Sugi Predict / Compounds / SCHEMBL1609142

SCHEMBL1609142

SCHEMBL1609142

Cc1nn(C)c(C(=O)O)c1[N+](=O)[O-]

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.61
▸ PKM P14618 2/20 0.56
▸ CYP1A2 P05177 1/20 0.53
▸ POLB P06746 3/20 0.52
▸ BLM P54132 1/20 0.52
▸ ALDH1A1 P00352 3/20 0.49
▸ GAA P10253 2/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ LMNA P02545 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
Hydrochloric Acid SCHEMBL11271192 0.98 MAPT (0.59) MAPTPKMCYP1A2POLBBLM
SCHEMBL1608919 0.84 SMN1; SMN2 (0.61) MAPTPKMCYP1A2POLBBLM
SCHEMBL11070595 0.84 MAPT (0.59) MAPTPKMCYP1A2POLBBLM
SCHEMBL4705798 0.82 MEN1 (0.46) MAPTPKMCYP1A2POLBBLM
SCHEMBL10919482 0.81 MAPT (0.53) MAPTPKMCYP1A2POLBBLM
SCHEMBL10917670 0.81 CYP1A2 (0.64) MAPTPKMCYP1A2POLBBLM
SCHEMBL11270696 0.81 MAPT (0.53) MAPTPKMCYP1A2POLBBLM
SCHEMBL38664509 0.81 PKM (0.54) MAPTPKMCYP1A2POLBBLM
SCHEMBL10920509 0.79 SMN1; SMN2 (0.42) MAPTPKMCYP1A2POLBBLM
SCHEMBL11277126 0.79 POLB (0.52) MAPTPKMCYP1A2POLBBLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6869953-B2 N-monoacylated derivatives of o-phenylenediamines, their analogs and their use as pharmaceutical agents HOFFMAN-LA ROCHE INC. (US) 2005-03-22 — — US claimed
US-20040192744-A1 N-monoacylated derivatives of o-phenylenediamines, their analogs and their use as pharmaceutical agents HAAG RAINER (DE) 2004-09-30 — — US claimed
US-20030139404-A1 N-monoacylated derivatives of o-phenylenediamines, their analogs and their use as pharmaceutical agents HOFFMANN-LA ROCHE INC. 2003-07-24 — — US claimed
US-20240209000-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE LLC 2024-06-27 — — US disclosed
US-20240002380-A1 REV-ERB AGONISTS SAINT LOUIS UNIVERSITY (US) 2024-01-04 — — US disclosed
EP-4228632-A2 REV-ERB AGONISTS Saint Louis University (US) 2023-08-23 — — EP disclosed
CN-116635029-A REV-ERB agonists 圣路易斯大学 2023-08-22 — — CN disclosed
WO-2022093552-A2 REV-ERB AGONISTS Saint Louis Univeristy (US) 2022-05-05 — — WO disclosed
WO-2022093552-A2 REV-ERB AGONISTS Saint Louis Univeristy (US) 2022-05-05 — — WO disclosed
US-20200247800-A1 SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS AS NADPH OXIDASE INHIBITORS GLENMARK PHARMACEUTICALS S.A. (CH) 2020-08-06 — — US disclosed
CN-110914263-A Substituted bicyclic heterocyclic compounds as NADPH oxidase inhibitors 格兰马克药品股份有限公司 2020-03-24 — — CN disclosed
EP-0023707-B1 SUBSTITUTED TETRAAZATRICYCLIC COMPOUNDS, PROCESS FOR THEIR PREPARATION, THEIR USE AND MEDICINES CONTAINING THEM Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1986-04-30 — — EP disclosed
EP-0066774-B1 1,4,9,10-TETRAHYDROPYRAZOLO(4,3-E)PYRIDO(3,2-B)(1,4)DIAZEPIN-10-ONES, PROCESS FOR THEIR PREPARATION AND MEDICINAL PREPARATIONS CONTAINING THEM Dr. Karl Thomae GmbH (DE) 1984-12-12 — — EP disclosed
US-4381303-A 1,4,9,10-Tetrahydro-pyrazolo [4,3-]pyrido[-3,2-b][1,4]diazepin-10-ones DR. KARL THOMAE GMBH (DE) 1983-04-26 — — US disclosed
EP-0066774-A1 1,4,9,10-Tetrahydropyrazolo(4,3-e)pyrido(3,2-b)(1,4)diazepin-10-ones, process for their preparation and medicinal preparations containing them Dr. Karl Thomae GmbH (DE) 1982-12-15 — — EP disclosed
EP-0064775-A1 Substituted tetraazatricyclic compounds, process for their preparation and their use Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1982-11-17 — — EP disclosed
US-4317823-A FOR TREATMENT OF GASTROINTESTINAL DISORDERS BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1982-03-02 — — US disclosed
EP-0023707-A1 Substituted tetraazatricyclic compounds, process for their preparation, their use and medicines containing them Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1981-02-11 — — EP disclosed
US-3939161-A ANTIINFLAMMATORY, ANTISECRETORY ABBOTT LABORATORIES (US) 1976-02-17 — — US disclosed
US-3934018-A 4,6-Dihydro-1,3-dimethyl-8-phenylpyrazolo[4,3-e] [1,4]diazepin-5-(1H)-one and derivatives as anti-inflammatory agents ABBOTT LABORATORIES (US) 1976-01-20 — — 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 (5 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-20200247800-A1 SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS AS NADPH OXIDASE INHIBITORS NOX1, CYBB, NOX4 MAPT 2507/4885PKM 1739/4885CYP1A2 191/4885
US-20040192744-A1 N-monoacylated derivatives of o-phenylenediamines, their analogs and their use as pharmaceutical agents NAT1, CYP1A1, UGT1A1 MAPT 2314/4885PKM 592/4885CYP1A2 14/4885
US-20240209000-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, PIK3CG, PIK3CD MAPT 1341/4885PKM 359/4885CYP1A2 1645/4885
US-20240002380-A1 REV-ERB AGONISTS NR1D1, ESRRA, ESRRB MAPT 1634/4885PKM 1399/4885CYP1A2 2620/4885
US-20030139404-A1 N-monoacylated derivatives of o-phenylenediamines, their analogs and their use as pharmaceutical agents NAT1, CYP1A1, UGT1A1 MAPT 2314/4885PKM 592/4885CYP1A2 14/4885

“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.