SCHEMBL754648

SCHEMBL754648

O=C(C=Cc1cc(OCc2ccc(F)cc2)ccc1O)c1nc[nH]n1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOB P27338 9/20 0.46
MAOA P21397 2/20 0.46
GSK3B P49841 1/20 0.41
BACE1 P56817 1/20 0.41
PPARG P37231 1/20 0.41
NR4A2 P43354 2/20 0.40
GABRA3 P34903 1/20 0.40
GABRA2 P47869 1/20 0.40
GABRB2 P47870 1/20 0.40
PARP10 Q53GL7 1/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
SLC16A3 O15427 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
SCHEMBL754365 0.84 PPARG (0.49) MAOBMAOABACE1PPARGLMNA
SCHEMBL754649 0.79 MAOB (0.49) MAOBMAOAGSK3BBACE1NR4A2
SCHEMBL756372 0.78 MAOB (0.47) MAOBMAOAGSK3BBACE1PPARG
SCHEMBL9748640 0.72 ABCG2 (0.62) MAOBBACE1NR4A2GABRA3GABRA2
SCHEMBL9748635 0.72 ABCG2 (0.62) MAOBBACE1NR4A2GABRA3GABRA2
SCHEMBL17907484 0.71 BACE1 (0.37) MAOBMAOABACE1
SCHEMBL344390 0.70 ALDH1A1 (0.63) MAOBMAOAGSK3BBACE1
SCHEMBL344391 0.70 ALDH1A1 (0.63) MAOBMAOAGSK3BBACE1
SCHEMBL751930 0.69 KDM4E (0.57) MAOBMAOA
SCHEMBL751929 0.69 KDM4E (0.57) MAOBMAOA

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 10 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
EP-3042894-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2016-07-13 EP 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-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
EP-1422218-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2004-05-26 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 (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 MAOB 709/4885MAOA 592/4885GSK3B 822/4885
US-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI MAOB 900/4885MAOA 729/4885GSK3B 650/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI MAOB 900/4885MAOA 729/4885GSK3B 650/4885

“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.