SCHEMBL754244

SCHEMBL754244

COCOc1ccc(OCc2ccc(F)cc2)cc1C(=O)C=Cc1nccn1C

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.44
MAOB P27338 5/20 0.41
MAOA P21397 1/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
PPARG P37231 1/20 0.39
XDH P47989 1/20 0.38
CTSL P07711 1/20 0.37
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
GSK3B P49841 1/20 0.36
BACE1 P56817 1/20 0.36
LRRK2 Q5S007 1/20 0.36

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
SCHEMBL756373 0.86 MAOB (0.49) MAPTMAOBMAOAALDH1A1CTSL
SCHEMBL754243 0.83 PPARG (0.48) MAOBMAOAMEN1KMT2AKDM4E
SCHEMBL754366 0.80 MAPT (0.46) MAPTMAOBMAOAMEN1KMT2A
SCHEMBL753306 0.76 MAOB (0.64) MAOBMAOAALDH1A1
SCHEMBL756372 0.72 MAOB (0.47) MAOBMAOAMEN1KMT2AKDM4E
SCHEMBL754365 0.71 PPARG (0.49) MAOBMAOAMEN1KMT2AKDM4E
SCHEMBL13016133 0.66 MAOB (0.55) MAOBMAOA
SCHEMBL751929 0.66 KDM4E (0.57) MAPTMAOBMAOAKDM4EALDH1A1
SCHEMBL751930 0.66 KDM4E (0.57) MAPTMAOBMAOAKDM4EALDH1A1
SCHEMBL24474193 0.66 CTSL (0.76) MAPTMAOBMAOAMEN1KMT2A

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 2 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
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 (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-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI MAPT 4426/4885MAOB 900/4885MAOA 729/4885

“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.