Ammonia Solution, Strong

Ammonia Solution, Strong

SCHEMBL1479416

C=CCc1ccccc1N1CCCCC1.N

nearest known ligand 0.46

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.46
ALDH1A1 P00352 4/20 0.46
KDM4E B2RXH2 1/20 0.46
MAPK1 P28482 2/20 0.44
PTPN1 P18031 1/20 0.43
NCF1 P14598 1/20 0.43
GAA P10253 1/20 0.42
FABP3 P05413 1/20 0.41
FABP4 P15090 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
NPC1 O15118 1/20 0.40
LMNA P02545 2/20 0.39
MAPT P10636 1/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
BRD9 Q9H8M2 1/20 0.39
HPGD P15428 1/20 0.38
HTT P42858 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
SCHEMBL7594859 0.81 HTR1A (0.55) ALDH1A1KDM4ENCF1LMNAHPGD
SCHEMBL15789909 0.80 MAPT (0.46) ALDH1A1KDM4EMAPK1GAANPC1
Ammonia Solution, Strong SCHEMBL7896018 0.78 KEAP1 (0.52) KEAP1MAPK1NCF1GAAFABP3
SCHEMBL31556704 0.78 HTR1A (0.41) KEAP1ALDH1A1KDM4EMAPK1PTPN1
SCHEMBL6159274 0.76 NCF1 (0.49) KEAP1ALDH1A1KDM4EMAPK1NCF1
SCHEMBL6514775 0.76 KEAP1 (0.53) KEAP1MAPK1NCF1GAAFABP3
SCHEMBL28053480 0.76 NCF1 (0.49) KEAP1ALDH1A1KDM4EMAPK1NCF1
SCHEMBL2346705 0.74 KEAP1 (0.52) KEAP1ALDH1A1KDM4EMAPK1NCF1
SCHEMBL11305984 0.74 KEAP1 (0.52) KEAP1ALDH1A1KDM4EMAPK1NCF1
SCHEMBL11711744 0.74 OPRL1 (0.46)

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-7915421-B2 Method for preparing phenyl acetic acid derivatives CILAG LTD. (CH) 2011-03-29 US disclosed
US-20070123564-A1 Method for preparing phenyl acetic acid derivatives CILAG LTD. (CH) 2007-05-31 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-20070123564-A1 Method for preparing phenyl acetic acid derivatives PHF2, ASF1A, NAT1 KEAP1 4725/4885ALDH1A1 721/4885KDM4E 1206/4885

“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.