SCHEMBL2132145

SCHEMBL2132145

NC(=O)c1nc2cc(OCc3ccc(C(F)(F)F)cc3)ccc2[nH]1

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOB P27338 14/20 0.61
S1PR1 P21453 1/20 0.47
PPARD Q03181 2/20 0.46
PPARA Q07869 2/20 0.46
MAOA P21397 3/20 0.46
CHEK2 O96017 1/20 0.43
PPARG P37231 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
SCHEMBL2133843 0.87 MAOB (0.59) MAOBMAOA
SCHEMBL2131850 0.85 KDM4E (0.55) MAOBMAOACHEK2
SCHEMBL2132151 0.82 MAOB (0.58) MAOBMAOA
SCHEMBL12832428 0.80 HRH4 (0.47) CHEK2
SCHEMBL3064556 0.77 CHEK2 (0.50) CHEK2
SCHEMBL2133081 0.76 MAOB (0.49) MAOBPPARAMAOA
SCHEMBL4466653 0.75 ALDH1A1 (0.61) MAOBMAOACHEK2
SCHEMBL2129893 0.74 MAOB (0.47) MAOB
SCHEMBL2132114 0.74 FFAR1 (0.45) MAOBMAOACHEK2
SCHEMBL2134219 0.73 MAOB (0.48) MAOBMAOA

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-8350039-B2 Substituted isoquinoline derivatives, pharmaceutical compositions, and methods of use as beta-secretase inhibitors HIGH POINT PHARMACEUTICALS, LLC (US) 2013-01-08 US claimed
US-8350039-B2 Substituted isoquinoline derivatives, pharmaceutical compositions, and methods of use as beta-secretase inhibitors HIGH POINT PHARMACEUTICALS, LLC (US) 2013-01-08 US disclosed
US-20120101125-A1 SUBSTITUTED ISOQUINOLINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE AS BETA-SECRETASE INHIBITORS HIGH POINT PHARMACEUTICALS, LLC (US) 2012-04-26 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-20120101125-A1 SUBSTITUTED ISOQUINOLINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE AS BETA-SECRETASE INHIBITORS BACE1, BACE2, APP MAOB 475/4885S1PR1 4332/4885PPARD 3571/4885

“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.