SCHEMBL754366

SCHEMBL754366

COCOc1ccc(OCc2ccc(F)cc2)cc1C(=O)C=Cc1nc[nH]n1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.46
MAOB P27338 5/20 0.42
MAOA P21397 1/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
PPARG P37231 1/20 0.40
CTSL P07711 1/20 0.38
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
CYSLTR1 Q9Y271 1/20 0.37
GSK3B P49841 1/20 0.37
BACE1 P56817 1/20 0.37

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
SCHEMBL754649 0.84 MAOB (0.49) MAPTMAOBMAOACTSLCYSLTR1
SCHEMBL17907485 0.83 MAOB (0.37) MAOBMEN1KMT2AALDH1A1
SCHEMBL754365 0.81 PPARG (0.49) MAOBMAOAMEN1KMT2AKDM4E
SCHEMBL754244 0.80 MAPT (0.44) MAPTMAOBMAOAMEN1KMT2A
SCHEMBL753306 0.78 MAOB (0.64) MAOBMAOAALDH1A1
SCHEMBL17907484 0.73 BACE1 (0.37) MAOBMAOAMEN1KMT2AALDH1A1
SCHEMBL754243 0.72 PPARG (0.48) MAOBMAOAMEN1KMT2AKDM4E
SCHEMBL754648 0.69 MAOB (0.46) MAOBMAOALMNAPPARGGSK3B
SCHEMBL13016133 0.68 MAOB (0.55) MAOBMAOA
SCHEMBL24474193 0.67 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2266958-B1 Antiviral agent SHIONOGI & CO (JP) 2017-03-15 EP disclosed
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
EP-2181985-B1 Antiviral Agent SHIONOGI & CO (JP) 2011-10-26 EP disclosed
EP-2266958-A1 Antiviral agent SHIONOGI & CO., LTD. (JP) 2010-12-29 EP disclosed
EP-2181985-A1 Antiviral Agent SHIONOGI & CO., LTD. (JP) 2010-05-05 EP disclosed
US-20040229909-A1 Antiviral agent SHIONOGI & CO., LTD. (JP) 2004-11-18 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 (3 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-20040229909-A1 Antiviral agent ZC3HAV1, ZC3HAV1L, DUT MAPT 4635/4885MAOB 709/4885MAOA 592/4885
US-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI MAPT 4426/4885MAOB 900/4885MAOA 729/4885
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.