SCHEMBL765660

SCHEMBL765660

O=C1NCC(c2ccc(OCc3ccc(F)cc3)cn2)=C1CO

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 14/20 0.52
CYP4A11 Q02928 14/20 0.52
MAOB P27338 4/20 0.42
MAOA P21397 1/20 0.42
PTPN1 P18031 1/20 0.41
NR4A2 P43354 1/20 0.40
PARP10 Q53GL7 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
SCHEMBL752928 0.82 CYP4F2 (0.49) CYP4F2CYP4A11MAOBMAOAPTPN1
SCHEMBL754173 0.75 ALDH1A1 (0.35)
SCHEMBL6810513 0.74 NR3C2 (0.43) MAOB
SCHEMBL754143 0.73 PARP1 (0.33)
SCHEMBL754314 0.71 LIPG (0.48) CYP4F2CYP4A11MAOBMAOANR4A2
SCHEMBL6873869 0.70 MAOB (0.51) CYP4F2CYP4A11MAOBMAOANR4A2
SCHEMBL752929 0.69 CYP4F2 (0.44) CYP4F2CYP4A11MAOBMAOANR4A2
SCHEMBL22968053 0.69 CYP4F2 (1.00) CYP4F2CYP4A11
SCHEMBL6439886 0.66 MAOB (0.61) MAOBMAOAPTPN1
SCHEMBL713596 0.66 MAOB (0.67) MAOBMAOANR4A2PARP10

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 11 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-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 CYP4F2 2346/4885CYP4A11 787/4885MAOB 709/4885
US-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI CYP4F2 2332/4885CYP4A11 698/4885MAOB 900/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI CYP4F2 2332/4885CYP4A11 698/4885MAOB 900/4885

“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.