SCHEMBL754620

SCHEMBL754620

O=c1c(O)c(-c2nc[nH]n2)oc2ccc(OCc3ccc(F)cc3)cc12

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ANO1 Q5XXA6 3/20 0.48
LMNA P02545 1/20 0.48
HTT P42858 1/20 0.48
MAOB P27338 7/20 0.47
MAOA P21397 5/20 0.47
ACHE P22303 2/20 0.46
AR P10275 1/20 0.42
SLC16A3 O15427 1/20 0.41
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40

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
SCHEMBL765549 0.80 ANO1 (0.52) ANO1LMNAHTTMAOBMAOA
SCHEMBL2485294 0.80 ABCB1 (0.41) LMNAHTTMAOBMAOAACHE
SCHEMBL12207267 0.79 LMNA (0.68) ANO1LMNAHTTMAOBMAOA
SCHEMBL756497 0.78 LMNA (0.51) ANO1LMNAHTTMAOBMAOA
SCHEMBL751538 0.77 LMNA (0.62) ANO1LMNAHTTMAOBMAOA
SCHEMBL756334 0.73 HTT (0.57) ANO1LMNAHTTMAOBMAOA
SCHEMBL3221505 0.69 LMNA (0.60) ANO1LMNAHTTMAOBMAOA
SCHEMBL3222175 0.68 MAOB (0.62) ANO1LMNAHTTMAOBMAOA
SCHEMBL17922056 0.68 MAPT (0.47) ANO1MAOBMAOAACHETP53
SCHEMBL27326001 0.67 CSNK2A2 (0.59) ANO1MAOAACHETP53MAPT

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 ANO1 4534/4885LMNA 2825/4885HTT 4561/4885
US-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI ANO1 4705/4885LMNA 2945/4885HTT 4541/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI ANO1 4705/4885LMNA 2945/4885HTT 4541/4885

“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.