Ammonia Solution, Strong

Ammonia Solution, Strong

SCHEMBL3454484

N.c1ccc(Oc2ccncc2)cc1

nearest known ligand 0.63

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 8/20 0.63
TSHR P16473 1/20 0.63
NR1H2 P55055 1/20 0.48
BAX Q07812 1/20 0.48
MAOA P21397 1/20 0.48
NOTUM Q6P988 1/20 0.48
LMNA P02545 2/20 0.46
CYP3A4 P08684 1/20 0.46
HTT P42858 1/20 0.46
MMP13 P45452 1/20 0.46
MAPK14 Q16539 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NPC1 O15118 1/20 0.44
SCN4A P35499 1/20 0.44
RAB9A P51151 1/20 0.44
MAOB P27338 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CYP19A1 P11511 1/20 0.42
SLC6A2 P23975 1/20 0.42

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
SCHEMBL1680381 0.97 LTA4H (0.67) LTA4HTSHRNR1H2BAXMAOA
SCHEMBL30047550 0.95 LTA4H (0.63) LTA4HTSHRNR1H2BAXMAOA
Diphenylether SCHEMBL28242079 0.87 NOTUM (0.67) LTA4HTSHRNR1H2BAXMAOA
Diphenylether SCHEMBL27977199 0.86 LTA4H (0.67) LTA4HTSHRNR1H2BAXMAOA
SCHEMBL8540552 0.86 LMNA (0.47) LTA4HTSHRNOTUMLMNACYP3A4
SCHEMBL6512870 0.84 LTA4H (0.50) LTA4HTSHRLMNACYP3A4HTT
SCHEMBL7011494 0.83 NOTUM (0.61) LTA4HTSHRNR1H2BAXMAOA
Diphenylether SCHEMBL179902 0.83 LTA4H (0.92) LTA4HTSHRNR1H2BAXMAOA
Diphenylether SCHEMBL4265157 0.83 LTA4H (0.92) LTA4HTSHRNR1H2BAXMAOA
Diphenylether SCHEMBL11437632 0.80 LTA4H (0.86) LTA4HTSHRNR1H2BAXMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7816365-B2 Amine derivatives MERCK PATENT GMBH (DE) 2010-10-19 US disclosed
US-20070112006-A1 Amine derivatives MERCK PATENT GMBH (DE) 2007-05-17 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 (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-20070112006-A1 Amine derivatives TIE1, FLT1, KDR LTA4H 4630/4885TSHR 802/4885NR1H2 2101/4885

“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.