Ammonia Solution, Strong

Ammonia Solution, Strong

SCHEMBL5999989

CCC(c1cccnc1)c1cc(Cl)cc(Cl)c1.N

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.46
KCNA5 P22460 8/20 0.44
KCNH2 Q12809 3/20 0.43
SLC6A4 P31645 2/20 0.43
CFTR P13569 1/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A3 Q01959 1/20 0.43
GOPC Q9HD26 1/20 0.43
KCND3 Q9UK17 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
PDE4D Q08499 1/20 0.40
LMNA P02545 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CTSA P10619 1/20 0.40
KDM4E B2RXH2 1/20 0.40
TRPM8 Q7Z2W7 1/20 0.38

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
Ammonia Solution, Strong SCHEMBL5999726 0.89 KCNA5 (0.52) CYP19A1KCNA5KCNH2SLC6A4CFTR
Ammonia Solution, Strong SCHEMBL6000489 0.86 CYP19A1 (0.60) CYP19A1KCNA5KCNH2SLC6A4CFTR
SCHEMBL658876 0.85 CFTR (0.57) CYP19A1KCNA5KCNH2SLC6A4CFTR
SCHEMBL11737642 0.84 CYP19A1 (0.62) CYP19A1KCNA5KCNH2SLC6A4CFTR
Ammonia Solution, Strong SCHEMBL5999698 0.83 CFTR (0.57) KCNA5KCNH2SLC6A4CFTRSLC6A2
Ammonia Solution, Strong SCHEMBL6000521 0.82 SLC6A2 (0.49) CYP19A1KCNA5KCNH2SLC6A4CFTR
SCHEMBL1944201 0.81 CFTR (0.59) KCNA5KCNH2SLC6A4CFTRSLC6A2
Ammonia Solution, Strong SCHEMBL5999960 0.81 CFTR (0.43) KCNA5KCNH2SLC6A4CFTRSLC6A2
Ammonia Solution, Strong SCHEMBL5999965 0.80 CYP17A1 (0.49) CYP19A1SLC6A4SLC6A2SLC6A3LMNA
SCHEMBL17071845 0.79 LMNA (0.48) LMNAKDM4E

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 disclosed
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 disclosed
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 disclosed
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 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 (1 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 CYP19A1 4624/4885KCNA5 173/4885KCNH2 71/4885

“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.