SCHEMBL6775498

SCHEMBL6775498

CNc1ncc(C(=O)OC)cc1[N+](=O)[O-]

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.65
MAPK1 P28482 2/20 0.65
POLB P06746 2/20 0.65
L3MBTL1 Q9Y468 1/20 0.58
OPRK1 P41145 1/20 0.49
VCAM1 P19320 1/20 0.48
JAK2 O60674 1/20 0.47
KDM4E B2RXH2 1/20 0.47
HPGD P15428 2/20 0.44
GALR2 O43603 1/20 0.44
LMNA P02545 1/20 0.44
HCAR3 P49019 1/20 0.42
ALDH1A1 P00352 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TPMT P51580 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
PSMD14 O00487 1/20 0.41

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
SCHEMBL4662535 0.87 MAPT (0.64) MAPTMAPK1POLBL3MBTL1OPRK1
SCHEMBL2248162 0.86 KMT2A (0.52) MAPTMAPK1POLBL3MBTL1KDM4E
SCHEMBL14212449 0.86 MAPT (0.62) MAPTMAPK1POLBL3MBTL1OPRK1
SCHEMBL2684241 0.85 HCAR3 (0.55) MAPTMAPK1POLBL3MBTL1JAK2
SCHEMBL2276183 0.85 MAPK1 (0.61) MAPTMAPK1POLBL3MBTL1OPRK1
Hydrochloric Acid SCHEMBL9251451 0.84 HCAR3 (0.54) MAPTMAPK1POLBL3MBTL1JAK2
SCHEMBL9251440 0.84 POLB (0.50) MAPTMAPK1POLBL3MBTL1VCAM1
Hydrochloric Acid SCHEMBL9251447 0.84 HCAR3 (0.54) MAPTMAPK1POLBL3MBTL1JAK2
SCHEMBL11377331 0.83 MAPK1 (0.59) MAPTMAPK1POLBL3MBTL1OPRK1
SCHEMBL18440448 0.82 MAPK1 (0.59) MAPTMAPK1POLBL3MBTL1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260034107-A1 SUBSTITUTED FUSED IMIDAZOLE DERIVATIVES AND METHODS OF TREATING SICKLE CELL DISEASE AND RELATED COMPLICATIONS VTV THERAPEUTICS LLC (US) 2026-02-05 US disclosed
US-11976083-B2 Inhibitors of peptidylarginine deiminases GILEAD SCIENCES, INC. (US) 2024-05-07 US disclosed
CN-115551862-B Macrocyclic inhibitors of peptidyl arginine deiminase 吉利德科学公司 2024-04-12 CN disclosed
EP-3298003-B1 BENZOIMIDAZOLE DERIVATIVES AS PAD4 INHIBITORS GLAXOSMITHKLINE IP DEV LTD (GB) 2023-04-19 EP disclosed
EP-3298003-B1 BENZOIMIDAZOLE DERIVATIVES AS PAD4 INHIBITORS GLAXOSMITHKLINE IP DEV LTD (GB) 2023-04-19 EP disclosed
US-20230093476-A1 SUBSTITUTED FUSED IMIDAZOLE DERIVATIVES AND METHODS OF TREATING REFRACTIVE OCULAR DISORDERS VTV THERAPEUTICS LLC 2023-03-23 US disclosed
EP-4143189-A1 MACROCYCLIC INHIBITORS OF PEPTIDYLARGININE DEIMINASES GILEAD SCIENCES, INC. (US) 2023-03-08 EP disclosed
US-20230002412-A1 INHIBITORS OF PEPTIDYLARGININE DEIMINASES GILEAD SCIENCES, INC. 2023-01-05 US disclosed
US-20230002412-A1 INHIBITORS OF PEPTIDYLARGININE DEIMINASES GILEAD SCIENCES, INC. 2023-01-05 US disclosed
CN-115551862-A Macrocyclic inhibitors of peptidyl arginine deiminase 吉利德科学公司 2022-12-30 CN disclosed
WO-2016185279-A1 BENZOIMIDAZOLE DERIVATIVES AS PAD4 INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2016-11-24 WO disclosed
WO-2016185279-A1 BENZOIMIDAZOLE DERIVATIVES AS PAD4 INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2016-11-24 WO disclosed
US-6710055-B2 INDOLE AND BENZIMIDAZOLE ANTITHROMBOTIC COMPOUNDS, SUCH AS 1-METHYL-2-(N-AMIDINOPHENYL)-AMINOMETHYL)-5-(N-(HYDROXYCARBO QUINOLINE-8-SULFONYLAMINO)-INDOLE BOEHRINGER INGELHEIM PHARMA GMBH & CO., KG (DE) 2004-03-23 US disclosed
EP-0966454-B1 DISUBSTITUTED BICYCLIC HETEROCYCLES, THEIR PRODUCTION AND USE AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA (DE) 2003-05-07 EP disclosed
US-20030004181-A1 Disubstituted bicyclic heterocycles, the preparation thereof, and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-01-02 US disclosed
US-6469039-B1 BENZIMIDAZOLES; THROMBIN- INHIBITING ACTIVITY AND THE EFFECT OF EXTENDING THROMBIN TIME BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-10-22 US disclosed
US-6414008-B1 CYNAO- OR AMIDINE-SUBSTITUTED BENZIMIDAZOLES, BENOTHIAZOLES, OR BENZOXAZOLES; 2-(N-(4-AMIDINOPHENYL)AMINOMETHYL)BENZOTHIAZOLES; 2-((4-CYANOPHENYL)OXYMETHYL)IMIDAZOL(4,5-B)PYRIDINES; ANTITHROMBOTICS BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-07-02 US disclosed
US-6087380-A ANTITHROMBOTIC BENZIMIDAZOLES; ANTICOAGULANTS; 2-(N-(4-AMIDINOPHENYL)-AMINOMETHYL)-BENZIMIDAZOL-5-YL-CARBOXYLIC ACIDS BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-07-11 US disclosed
EP-0966454-A1 DISUBSTITUTED BICYCLIC HETEROCYCLES, THEIR PRODUCTION AND USE AS MEDICAMENTS Boehringer Ingelheim Pharma KG (DE) 1999-12-29 EP disclosed
WO-1998037075-A1 DISUBSTITUTED BICYCLIC HETEROCYCLES, THEIR PRODUCTION AND USE AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA KG (DE) 1998-08-27 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 (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-11976083-B2 Inhibitors of peptidylarginine deiminases PADI4, PADI2, PADI1 MAPT 3578/4885MAPK1 2690/4885POLB 866/4885
US-20030004181-A1 Disubstituted bicyclic heterocycles, the preparation thereof, and their use as pharmaceutical compositions F2, TFPI, FGB MAPT 4785/4885MAPK1 2790/4885POLB 1562/4885
US-20230093476-A1 SUBSTITUTED FUSED IMIDAZOLE DERIVATIVES AND METHODS OF TREATING REFRACTIVE OCULAR DISORDERS ALDH1A2, UACA, PDE6D MAPT 1556/4885MAPK1 3362/4885POLB 2714/4885
US-20260034107-A1 SUBSTITUTED FUSED IMIDAZOLE DERIVATIVES AND METHODS OF TREATING SICKLE CELL DISEASE AND RELATED COMPLICATIONS HBB, HBZ, HBG1 MAPT 4370/4885MAPK1 3724/4885POLB 1728/4885
US-20230002412-A1 INHIBITORS OF PEPTIDYLARGININE DEIMINASES PADI4, PADI2, PADI1 MAPT 3578/4885MAPK1 2690/4885POLB 866/4885

“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.