SCHEMBL756372

SCHEMBL756372

Cn1ccnc1C(=O)C=Cc1cc(OCc2ccc(F)cc2)ccc1O

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.47
MAOA P21397 2/20 0.47
PPARG P37231 2/20 0.42
GABRA3 P34903 1/20 0.41
GABRA2 P47869 1/20 0.41
GABRB2 P47870 1/20 0.41
GSK3B P49841 1/20 0.40
BACE1 P56817 1/20 0.40
LMNA P02545 2/20 0.39
HTT P42858 1/20 0.39
NR4A2 P43354 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 1/20 0.39
CTSL P07711 1/20 0.38
MCHR1 Q99705 1/20 0.38

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
SCHEMBL754243 0.86 PPARG (0.48) MAOBMAOAPPARGBACE1LMNA
SCHEMBL756373 0.81 MAOB (0.49) MAOBMAOAALDH1A1CTSL
SCHEMBL754648 0.78 MAOB (0.46) MAOBMAOAPPARGGABRA3GABRA2
SCHEMBL28404528 0.73 TNFRSF1A (0.53) MAOBMAOALMNAHTTALDH1A1
SCHEMBL754244 0.72 MAPT (0.44) MAOBMAOAPPARGGSK3BBACE1
SCHEMBL9748635 0.70 ABCG2 (0.62) MAOBGABRA3GABRA2GABRB2BACE1
SCHEMBL9748640 0.70 ABCG2 (0.62) MAOBGABRA3GABRA2GABRB2BACE1
SCHEMBL751929 0.70 KDM4E (0.57) MAOBMAOAKDM4EALDH1A1
SCHEMBL751930 0.70 KDM4E (0.57) MAOBMAOAKDM4EALDH1A1
SCHEMBL765433 0.69 MAOB (0.61) MAOBMAOANR4A2CTSL

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
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-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-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 (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 729/4885PPARG 3165/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI MAOB 900/4885MAOA 729/4885PPARG 3165/4885

“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.