SCHEMBL506550

SCHEMBL506550

CNc1ccc(C(=O)Cl)cc1[N+](=O)[O-]

nearest known ligand 0.74

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 12/20 0.74
CDC25B P30305 1/20 0.62
HTT P42858 1/20 0.57
ALDH1A1 P00352 2/20 0.53
MAPT P10636 1/20 0.53
MAPK1 P28482 1/20 0.53
RECQL P46063 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
LMNA P02545 1/20 0.48

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 SCHEMBL18813442 0.98 HCAR3 (0.72) HCAR3CDC25BHTTALDH1A1MAPT
SCHEMBL321911 0.85 HCAR3 (1.00) HCAR3CDC25BMEN1KMT2A
SCHEMBL973813 0.85 HCAR3 (0.77) HCAR3CDC25BHTTALDH1A1MAPT
SCHEMBL3620745 0.84 KMT2A (0.65) HCAR3HTTALDH1A1MAPTMEN1
SCHEMBL2253159 0.84 HCAR3 (0.74) HCAR3CDC25BHTTALDH1A1MAPT
SCHEMBL10665446 0.84 HCAR3 (0.74) HCAR3CDC25BHTTALDH1A1MAPT
Hydrochloric Acid SCHEMBL321637 0.84 HCAR3 (0.97) HCAR3CDC25BMEN1KMT2A
SCHEMBL1602521 0.83 HCAR3 (0.76) HCAR3HTTALDH1A1MAPTMEN1
SCHEMBL1726941 0.83 HCAR3 (0.72) HCAR3CDC25BHTTALDH1A1MAPT
SCHEMBL9190453 0.81 HCAR3 (0.70) HCAR3CDC25BHTTALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116178203-B Polyimide containing amide bond and benzonorbornane structure and preparation method thereof 南昌大学 2025-02-14 CN claimed
CN-117510402-A Optimized dabigatran etexilate key intermediate synthesis process 江苏阿尔法药业股份有限公司 2024-02-06 CN claimed
CN-116178203-A Polyimide containing amide bond and benzonorbornane structure and preparation method thereof 南昌大学 2023-05-30 CN claimed
CN-112960764-B Landfill leachate denitrification method 杭州楠大环保科技有限公司 2022-05-24 CN claimed
CN-112960764-A Landfill leachate denitrification method 杭州楠大环保科技有限公司 2021-06-15 CN claimed
CN-103524559-B Ester derivant of polysubstituted 4-methylamino benzenecarboximidamide and its production and use 西藏海思科药业集团股份有限公司 2016-09-28 CN claimed
CN-104356022-B A kind of synthetic method of N-methyl-4-(methylamino)-3-nitrobenzamide 上海应用技术学院 2016-06-08 CN claimed
CN-104356022-A Synthetic method of N-methyl-4-(methyl amino)-3-nitrobenzamide SHANGHAI INST TECHNOLOGY 2015-02-18 CN claimed
CN-104230888-A Preparation method of benzimidazole compound UNIV CHANGCHUN TECHNOLOGY 2014-12-24 CN claimed
CN-103694224-A Dabigatran etexilate analog centered by fluorine-containing-group-modified benzene ring and synthesis method thereof SHANGHAI INST TECHNOLOGY 2014-04-02 CN claimed
CN-103524559-A Ester derivatives of multi-substituted 4-methylamino-benzamidine as well as preparation method and application of ester derivatives TIBET HAISCO PHARMACEUTICAL GROUP CO LTD 2014-01-22 CN claimed
US-8394961-B2 Method for the preparation of dabigatran ZENTIVA K.S. (CZ) 2013-03-12 US claimed
US-20110082299-A1 METHOD FOR THE PREPARATION OF DABIGATRAN ZENTIVA K.S. (CZ) 2011-04-07 US claimed
EP-2262771-A1 A METHOD FOR THE PREPARATION OF DABIGATRAN Zentiva, K.S. (CZ) 2010-12-22 EP claimed
WO-2009111997-A1 A METHOD FOR THE PREPARATION OF DABIGATRAN ZENTIVA, K.S. (CZ) 2009-09-17 WO claimed
CN-116178203-B Polyimide containing amide bond and benzonorbornane structure and preparation method thereof 南昌大学 2025-02-14 CN disclosed
US-12091407-B2 Substituted fused imidazole derivatives, pharmaceutical compositions, and methods of use thereof VTV THERAPEUTICS LLC (US) 2024-09-17 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
CN-1248251-A Disubstituted bicyclic heterocycles, their production and use as medicaments BOEHRINGER INGELHEIM PHARMA (DE) 2000-03-22 CN 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-12091407-B2 Substituted fused imidazole derivatives, pharmaceutical compositions, and methods of use thereof GLS, HMOX2, REN HCAR3 1803/4885CDC25B 4293/4885HTT 1101/4885
US-20110082299-A1 METHOD FOR THE PREPARATION OF DABIGATRAN PROC, VKORC1, VKORC1L1 HCAR3 660/4885CDC25B 1993/4885HTT 3653/4885

“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.