Ammonia Solution, Strong

Ammonia Solution, Strong

SCHEMBL2797706

CCCc1cccnc1.N

nearest known ligand 0.71

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.71
L3MBTL1 Q9Y468 1/20 0.71
CHRNA7 P36544 2/20 0.61
CHRNB2 P17787 3/20 0.60
CHRNA4 P43681 3/20 0.60
CYP2A6 P11509 1/20 0.57
HRH1 P35367 2/20 0.53
CYP1A2 P05177 2/20 0.52
CYP2D6 P10635 2/20 0.52
ALDH1A1 P00352 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
HRH4 Q9H3N8 1/20 0.50
HRH3 Q9Y5N1 1/20 0.50
TBXAS1 P24557 1/20 0.49

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 SCHEMBL28494404 0.98 TDP1 (0.69) TDP1L3MBTL1CHRNA7CHRNB2CHRNA4
SCHEMBL30672504 0.98
SCHEMBL173147 0.98
SCHEMBL11563304 0.96 TDP1 (0.71) TDP1L3MBTL1CHRNA7CHRNB2CHRNA4
Bromide SCHEMBL14801915 0.96 TDP1 (0.71) TDP1L3MBTL1CHRNA7CHRNB2CHRNA4
Sulfuric Acid SCHEMBL28849514 0.87 TDP1 (0.61) TDP1L3MBTL1CHRNA7CHRNB2CHRNA4
Acetic Acid SCHEMBL30330124 0.87 TDP1 (0.61) TDP1L3MBTL1CHRNA7CYP1A2TBXAS1
Ammonia Solution, Strong SCHEMBL6014613 0.86 TDP1 (0.96) TDP1L3MBTL1CHRNA7CHRNB2CHRNA4
SCHEMBL20045569 0.85 TDP1 (0.74) TDP1L3MBTL1CHRNA7CHRNB2CHRNA4
SCHEMBL681571 0.85 TDP1 (0.89) TDP1L3MBTL1CHRNA7CHRNB2CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111163761-A Targeted drugs related to trimethylamine and/or trimethylamine-N-oxide 普梭梅根公司 2020-05-15 CN claimed
US-20060058357-A1 Delta2-1,2,3-triazoline anticonvulsants and their active metabolite analogues, the aminoalkylpyridines, are excitatory amino acid antagonists and antiischemic agents, useful in the treatment of cerebral ischemia resulting from stroke K AND K BIOSCIENCE, INC. (US) 2006-03-16 US claimed
EP-1343497-A4 $g(D)?2 ,-1,2,3-TRIAZOLINE ANTICONVULSANTS AND THEIR ACTIVE METABOLITE ANALOGUES, THE AMINOALKYLPYRIDINES, ARE EXCITATORY AMINO ACID ANTAGONISTS AND ANTIISCHEMIC AGENTS, USEFUL IN THE TREATMENT OF CEREBRAL ISCHEMIA RESULTING FROM STROKE K AND K BIOSCIENCES INC (US) 2005-01-26 EP claimed
US-20040073039-A1 Delta2-1,2,3-triazoline anticonvulsants and their active metabolite analogues, the aminoalkylpyridines, are excitatory amino acid antagonists and antiischemic agents, useful in the treatment of cerebral ischemia resulting from stroke K AND K BIOSCIENCES, INC. 2004-04-15 US claimed
EP-1343497-A1 $g(D)?2 ,-1,2,3-TRIAZOLINE ANTICONVULSANTS AND THEIR ACTIVE METABOLITE ANALOGUES, THE AMINOALKYLPYRIDINES, ARE EXCITATORY AMINO ACID ANTAGONISTS AND ANTIISCHEMIC AGENTS, USEFUL IN THE TREATMENT OF CEREBRAL ISCHEMIA RESULTING FROM STROKE K and K Biosciences, Inc. (US) 2003-09-17 EP claimed
US-20020111371-A1 Delta2-1,2,3-triazoline anticonvulsants and their active metabolite analogues, the aminoalkylpyridines, are excitatory amino acid antagonists and antiischemic agents, useful in the treatment of cerebral ischemia resulting from stroke K AND K BIOSCIENCES, INC. 2002-08-15 US claimed
WO-2002036119-A1 Δ2,-1,2,3-TRIAZOLINE ANTICONVULSANTS AND THEIR ACTIVE METABOLITE ANALOGUES, THE AMINOALKYLPYRIDINES, ARE EXCITATORY AMINO ACID ANTAGONISTS AND ANTIISCHEMIC AGENTS, USEFUL IN THE TREATMENT OF CEREBRAL ISCHEMIA RESULTING FROM STROKE K AND K BIOSCIENCES, INC. (US) 2002-05-10 WO claimed
CN-111163761-A Targeted drugs related to trimethylamine and/or trimethylamine-N-oxide 普梭梅根公司 2020-05-15 CN disclosed
CN-105209435-B Compound comprising pyridine or pyrazine 3M创新有限公司 2018-02-02 CN disclosed
CN-105209435-A Pyridine- or pyrazine-containing compounds 3M INNOVATIVE PROPERTIES CO 2015-12-30 CN disclosed
EP-2382274-B1 AQUEOUS COATING COMPOSITION COMPRISING PYRIDINE GROUP-CONTAINING ELECTROCOAT RESIN BASF COATINGS GMBH (DE) 2015-04-22 EP disclosed
CN-102272246-B Pyridine group-containing electrocoat resin BASF COATINGS GMBH 2014-09-17 CN disclosed
CN-102272246-A Pyridine group-containing electrocoat resin 2011-12-07 CN disclosed
US-6448277-B2 ANTITUOR AGENTS, ANTICARCINOGENIC AGENTS NOVARTIS AG (CH) 2002-09-10 US disclosed
US-20020019414-A1 N-aryl(thio)anthranilic acid amide derivatives, their preparation and their use as VEGF receptor tyrosine kinase inhibitors NOVARTIS AG (CH) 2002-02-14 US disclosed
EP-0900207-B1 PYRAZINONE THROMBIN INHIBITORS MERCK & CO INC (US) 2001-11-21 EP disclosed
EP-1129075-A1 N-ARYL(THIO)ANTHRANILIC ACID AMIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS VEGF RECEPTOR TYROSINE KINASE INHIBITORS Novartis AG (CH) 2001-09-05 EP disclosed
WO-2000027820-A1 N-ARYL(THIO)ANTHRANILIC ACID AMIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS VEGF RECEPTOR TYROSINE KINASE INHIBITORS NOVARTIS AG (CH) 2000-05-18 WO disclosed
CN-1222909-A Pyrazinone thrombin inhibitors MERCK & CO INC (US) 1999-07-14 CN disclosed
US-5866573-A Pyrazinone thrombin inhibitors MERCK & CO., INC. (US) 1999-02-02 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 (4 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-20060058357-A1 Delta2-1,2,3-triazoline anticonvulsants and their active metabolite analogues, the aminoalkylpyridines, are excitatory amino acid antagonists and antiischemic agents, useful in the treatment of cerebral ischemia resulting from stroke SIGMAR1, GRM1, GRIN2C TDP1 3769/4885L3MBTL1 1503/4885CHRNA7 186/4885
US-20040073039-A1 Delta2-1,2,3-triazoline anticonvulsants and their active metabolite analogues, the aminoalkylpyridines, are excitatory amino acid antagonists and antiischemic agents, useful in the treatment of cerebral ischemia resulting from stroke SIGMAR1, GRM1, GRIN2C TDP1 3458/4885L3MBTL1 1507/4885CHRNA7 223/4885
US-20020019414-A1 N-aryl(thio)anthranilic acid amide derivatives, their preparation and their use as VEGF receptor tyrosine kinase inhibitors AXL, TYRO3, KDR TDP1 2775/4885L3MBTL1 4472/4885CHRNA7 3633/4885
US-20020111371-A1 Delta2-1,2,3-triazoline anticonvulsants and their active metabolite analogues, the aminoalkylpyridines, are excitatory amino acid antagonists and antiischemic agents, useful in the treatment of cerebral ischemia resulting from stroke SIGMAR1, GRM1, GRIN2C TDP1 3458/4885L3MBTL1 1507/4885CHRNA7 223/4885

“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.