Ammonia Solution, Strong

Ammonia Solution, Strong

SCHEMBL415501

Cc1cc(C)c(N)c(Cl)n1.N

nearest known ligand 0.52

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.52
ALDH1A1 P00352 2/20 0.48
MAPK1 P28482 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HTT P42858 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HPGD P15428 1/20 0.40
KDM4E B2RXH2 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
TP53 P04637 1/20 0.39
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39
NOS3 P29474 1/20 0.38
NOS1 P29475 1/20 0.38
NOS2 P35228 1/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
IDO1 P14902 1/20 0.37
UHRF1 Q96T88 1/20 0.37

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
SCHEMBL29513014 0.98 POLB (0.53) POLBALDH1A1MAPK1SMN1; SMN2HTT
SCHEMBL3886713 0.98 POLB (0.53) POLBALDH1A1MAPK1SMN1; SMN2HTT
SCHEMBL1886976 0.81 POLB (0.45) POLBALDH1A1MAPK1SMN1; SMN2HTT
SCHEMBL30124712 0.81 POLB (0.45) POLBALDH1A1MAPK1SMN1; SMN2HTT
SCHEMBL5746102 0.79 ALDH1A1 (0.40) POLBALDH1A1MAPK1SMN1; SMN2HTT
SCHEMBL29672030 0.79 NR4A2 (0.46) POLBALDH1A1MAPK1SMN1; SMN2HTT
SCHEMBL30421541 0.79 ALDH1A1 (0.40) POLBALDH1A1MAPK1SMN1; SMN2HTT
SCHEMBL15894463 0.79 NR4A2 (0.46) POLBALDH1A1MAPK1SMN1; SMN2HTT
SCHEMBL3208148 0.76 CYP3A4 (0.37) POLBALDH1A1MAPK1SMN1; SMN2HTT
SCHEMBL31206751 0.76 CYP3A4 (0.37) POLBALDH1A1MAPK1SMN1; SMN2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8772504-B2 Substituted benzoxazole, benzimidazole, oxazolopyridine and imidazopyridine derivatives as gamma secretase modulators Janssen Pharmaceuticals, Inc. (US) 2014-07-08 US disclosed
EP-2398793-B1 NOVEL SUBSTITUTED BENZOXAZOLE, BENZIMIDAZOLE, OXAZOLOPYRIDINE AND IMIDAZOPYRIDINE DERIVATIVES AS GAMMA SECRETASE MODULATORS JANSSEN PHARMACEUTICALS INC (US) 2013-12-18 EP disclosed
US-20120022090-A1 NOVEL SUBSTITUTED BENZOXAZOLE, BENZIMIDAZOLE, OXAZOLOPYRIDINE AND IMIDAZOPYRIDINE DERIVATIVES AS GAMMA SECRETASE MODULATORS CELLZOME LIMITED (GB) 2012-01-26 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-20120022090-A1 NOVEL SUBSTITUTED BENZOXAZOLE, BENZIMIDAZOLE, OXAZOLOPYRIDINE AND IMIDAZOPYRIDINE DERIVATIVES AS GAMMA SECRETASE MODULATORS BACE1, BACE2, GSAP POLB 3804/4885ALDH1A1 1693/4885MAPK1 3509/4885

“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.