SCHEMBL1767152

SCHEMBL1767152

O=[N+]([O-])c1cccc(COc2ccc(-c3ccc(F)cc3F)cc2)c1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.56
MAOA P21397 1/20 0.56
ALDH1A1 P00352 1/20 0.48
MAPT P10636 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
PTGES O14684 2/20 0.48
ADAMTS4 O75173 1/20 0.48
MMP13 P45452 1/20 0.48
FFAR1 O14842 1/20 0.47
RORC P51449 1/20 0.46
CYP19A1 P11511 1/20 0.45
CYP11B1 P15538 1/20 0.45
CYP11B2 P19099 1/20 0.45

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
SCHEMBL1767105 0.88 MAOB (0.58) MAOBMAOAALDH1A1MAPTSMN1; SMN2
SCHEMBL12010999 0.86 MAOB (0.67) MAOBMAOAALDH1A1MAPTSMN1; SMN2
SCHEMBL1766880 0.82 GYS1 (0.61) MAOBMAOA
SCHEMBL12533265 0.80 MAOB (0.66) MAOBMAOAALDH1A1MAPTSMN1; SMN2
SCHEMBL2029459 0.79 MAOB (0.49) MAOBMAOAFFAR1
SCHEMBL31634183 0.79 MAOB (0.61) MAOBMAOAALDH1A1MAPTSMN1; SMN2
SCHEMBL4342895 0.79 MAOB (0.61) MAOBMAOAALDH1A1MAPTSMN1; SMN2
SCHEMBL1756377 0.78 MRGPRX4 (0.65) SMN1; SMN2
SCHEMBL17560021 0.77 MAOB (0.70) MAOBMAOAALDH1A1MAPTSMN1; SMN2
SCHEMBL810521 0.77 MAOB (0.63) MAOBMAOAALDH1A1MAPTSMN1; SMN2

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
WO-2011067174-A1 ANILINE ANALOGS AS GLYCOGEN SYNTHASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2011-06-09 WO disclosed
US-20110130438-A1 ANILINE ANALOGS AS GLYCOGEN SYNTHASE ACTIVATORS BOLIN DAVID ROBERT 2011-06-02 US disclosed
US-20110130438-A1 ANILINE ANALOGS AS GLYCOGEN SYNTHASE ACTIVATORS BOLIN DAVID ROBERT 2011-06-02 US disclosed
US-7939569-B1 Aniline analogs as glycogen synthase activators HOFFMANN-LA ROCHE INC. (US) 2011-05-10 US disclosed
US-7939569-B1 Aniline analogs as glycogen synthase activators HOFFMANN-LA ROCHE INC. (US) 2011-05-10 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-20110130438-A1 ANILINE ANALOGS AS GLYCOGEN SYNTHASE ACTIVATORS GYS2, PYGL, GYS1 MAOB 121/4885MAOA 93/4885ALDH1A1 534/4885

“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.