SCHEMBL756373

SCHEMBL756373

Cn1ccnc1C=CC(=O)c1cc(OCc2ccc(F)cc2)ccc1O

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.49
MAOA P21397 2/20 0.49
CYSLTR2 Q9NS75 1/20 0.43
CYSLTR1 Q9Y271 1/20 0.43
CTSL P07711 1/20 0.42
APP P05067 1/20 0.40
MAPT P10636 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
HSP90AA1 P07900 1/20 0.40
PKM P14618 1/20 0.40
MAPK1 P28482 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 1/20 0.39
AR P10275 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
SCHEMBL754244 0.86 MAPT (0.44) MAOBMAOACTSLMAPTALDH1A1
SCHEMBL756372 0.81 MAOB (0.47) MAOBMAOACTSLALDH1A1
SCHEMBL765433 0.80 MAOB (0.61) MAOBMAOACYSLTR2CYSLTR1CTSL
SCHEMBL751929 0.80 KDM4E (0.57) MAOBMAOACYSLTR2CYSLTR1APP
SCHEMBL751930 0.80 KDM4E (0.57) MAOBMAOACYSLTR2CYSLTR1APP
SCHEMBL17907495 0.78 CYSLTR2 (0.56) MAOBMAOACYSLTR2CYSLTR1APP
SCHEMBL17907496 0.78 CYSLTR2 (0.56) MAOBMAOACYSLTR2CYSLTR1APP
SCHEMBL754649 0.77 MAOB (0.49) MAOBMAOACYSLTR2CYSLTR1CTSL
SCHEMBL754206 0.73 MAOB (0.82) MAOBMAOA
SCHEMBL754243 0.72 PPARG (0.48) MAOBMAOAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170066754-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2017-03-09 US disclosed
US-9572813-B2 Antiviral agent SHIONOGI & CO., LTD. (JP) 2017-02-21 US disclosed
US-20150202208-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2015-07-23 US disclosed
EP-1422218-B1 ANTIVIRAL AGENT SHIONOGI & CO (JP) 2012-03-21 EP 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 (2 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-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI MAOB 900/4885MAOA 729/4885CYSLTR2 4226/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI MAOB 900/4885MAOA 729/4885CYSLTR2 4226/4885

“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.