Ammonia Solution, Strong

Ammonia Solution, Strong

SCHEMBL9953834

N.Nc1cc(F)c(C(=O)O)cc1[N+](=O)[O-]

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.50
TDP1 Q9NUW8 5/20 0.46
ALDH1A1 P00352 3/20 0.46
CYP3A4 P08684 2/20 0.46
ALOX15 P16050 2/20 0.46
MAPK1 P28482 1/20 0.42
DTYMK P23919 1/20 0.41
MAPT P10636 5/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
TSHR P16473 3/20 0.41
POLB P06746 2/20 0.41
MCL1 Q07820 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CDK2 P24941 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
KEAP1 Q14145 1/20 0.40
HTT P42858 1/20 0.39

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
SCHEMBL671688 0.98 LMNA (0.51) LMNATDP1ALDH1A1CYP3A4ALOX15
SCHEMBL13999989 0.85 ALDH1A1 (0.51) LMNATDP1ALDH1A1CYP3A4ALOX15
SCHEMBL20502408 0.84 LMNA (0.58) LMNATDP1ALDH1A1CYP3A4ALOX15
SCHEMBL6484011 0.83 LMNA (0.42) LMNATDP1ALDH1A1CYP3A4ALOX15
SCHEMBL1967460 0.83 LMNA (0.42) LMNATDP1ALDH1A1CYP3A4ALOX15
SCHEMBL9377747 0.82 TDP1 (0.56) LMNATDP1ALDH1A1CYP3A4ALOX15
SCHEMBL670578 0.82 DTYMK (0.46) LMNATDP1ALDH1A1CYP3A4ALOX15
SCHEMBL10211264 0.81 HDAC1 (0.41) LMNATDP1ALDH1A1CYP3A4ALOX15
SCHEMBL15384730 0.81 MAPT (0.41) LMNATDP1ALDH1A1CYP3A4ALOX15
SCHEMBL27011524 0.80 MAPT (0.41) LMNATDP1ALDH1A1CYP3A4ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2661428-B1 QUINOXALINES AND AZA-QUINOXALINES AS CRTH2 RECEPTOR MODULATORS MERCK SHARP & DOHME (US) 2017-06-07 EP disclosed
US-9469615-B2 Quinoxalines and AZA-quinoxalines as CRTH2 receptor modulators MERCK SHARP & DOHME CORP. (US) 2016-10-18 US disclosed
US-20130303517-A1 QUINOXALINES AND AZA-QUINOXALINES AS CRTH2 RECEPTOR MODULATORS MERCK SHARP & DOHME LLC 2013-11-14 US disclosed
EP-2661428-A1 QUINOXALINES AND AZA-QUINOXALINES AS CRTH2 RECEPTOR MODULATORS Merck Sharp & Dohme Corp. (US) 2013-11-13 EP disclosed
WO-2012087861-A1 QUINOXALINES AND AZA-QUINOXALINES AS CRTH2 RECEPTOR MODULATORS MERCK SHARP & DOHME CORP. (US) 2012-06-28 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-20130303517-A1 QUINOXALINES AND AZA-QUINOXALINES AS CRTH2 RECEPTOR MODULATORS HRH2, NPY2R, CNKSR1 LMNA 3865/4885TDP1 4126/4885ALDH1A1 1713/4885

“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.