SCHEMBL9905081

SCHEMBL9905081

Cc1c[nH]c(=O)nc1OCc1ccc(Oc2ccc(F)c(F)c2)c(F)c1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.40
MAOA P21397 2/20 0.40
ACHE P22303 1/20 0.40
PPARA Q07869 2/20 0.37
TRPA1 O75762 2/20 0.36
PLA2G7 Q13093 1/20 0.36
FFAR1 O14842 5/20 0.35
PPARD Q03181 3/20 0.35
HTR6 P50406 2/20 0.34
P2RX7 Q99572 3/20 0.33
SCN9A Q15858 1/20 0.33

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
SCHEMBL9904993 0.88 SLC22A12 (0.41) PLA2G7
SCHEMBL9900951 0.88 PLA2G7 (0.41) MAOBMAOAACHETRPA1PLA2G7
SCHEMBL9904872 0.80 TRPA1 (0.34) MAOBTRPA1
SCHEMBL9900548 0.79 MAOA (0.39) MAOBMAOAACHEPLA2G7
SCHEMBL9904769 0.77 EGLN1 (0.36) PPARATRPA1
SCHEMBL15263042 0.75 SCN9A (0.39) TRPA1SCN9A
SCHEMBL9904709 0.75 CSF1R (0.39) PLA2G7P2RX7
SCHEMBL15266768 0.74 CSF1R (0.38) MAOBMAOAACHEPLA2G7HTR6
SCHEMBL15277255 0.73 LYN (0.43) PLA2G7FFAR1
SCHEMBL15262676 0.72 CYP1A2 (0.44) MAOBPLA2G7SCN9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8906961-B2 Glycerol levulinate ketals and their use in the manufacture of polyurethanes, and polyurethanes formed therefrom SEGETIS, INC. (US) 2014-12-09 US disclosed
US-8859573-B2 Pyrimidinone and pyridinone compounds for use in the treatment of diseases or conditions mediated by Lp-PLA2 GLAXO GROUP LIMITED (GB) 2014-10-14 US disclosed
US-8859573-B2 Pyrimidinone and pyridinone compounds for use in the treatment of diseases or conditions mediated by Lp-PLA2 GLAXO GROUP LIMITED (GB) 2014-10-14 US disclosed
US-8859573-B2 Pyrimidinone and pyridinone compounds for use in the treatment of diseases or conditions mediated by Lp-PLA2 GLAXO GROUP LIMITED (GB) 2014-10-14 US disclosed
EP-2649050-A1 COMPOUNDS Glaxo Group Limited (GB) 2013-10-16 EP disclosed
US-20130252986-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2013-09-26 US disclosed
US-20130252986-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2013-09-26 US disclosed
US-20130252986-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2013-09-26 US disclosed
WO-2012075917-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2012-06-14 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-20130252986-A1 COMPOUNDS LIPG, ENPP2, PLA2G1B MAOB 1005/4885MAOA 765/4885ACHE 604/4885

“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.