SCHEMBL754426

SCHEMBL754426

O=C(c1ccc(Cc2ccc(F)cc2)o1)c1oc2ccccc2c(=O)c1OCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.43
POLB P06746 2/20 0.42
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
PTPN1 P18031 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 3/20 0.38
PTGER1 P34995 1/20 0.38
LMNA P02545 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
EDNRA P25101 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ABCG2 Q9UNQ0 2/20 0.37
HTT P42858 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MAOA P21397 1/20 0.37
NR1H4 Q96RI1 1/20 0.37
ANO1 Q5XXA6 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
SCHEMBL16925481 0.86 MAPT (0.40) KMT2AKDM4EGAAPTPN1ALDH1A1
SCHEMBL755830 0.82 MAPT (0.43) KMT2APOLBKDM4EALDH1A1MAPT
SCHEMBL755271 0.81 PTGER1 (0.38) KMT2APOLBALDH1A1MAPTPTGER1
SCHEMBL752918 0.81 MAPT (0.43) KMT2APOLBALDH1A1MAPTPTGER1
SCHEMBL756396 0.81 LMNA (0.56) KMT2APOLBKDM4EALDH1A1MAPT
SCHEMBL757246 0.80 POLB (0.38) POLBALDH1A1MAPTPTGER1LMNA
SCHEMBL751907 0.80 PTGER1 (0.40) KMT2APOLBKDM4EGAAALDH1A1
SCHEMBL16921603 0.80 SMN1; SMN2 (0.43) KMT2APOLBKDM4EGAAALDH1A1
SCHEMBL753158 0.79 PTGER1 (0.40) KMT2APOLBALDH1A1MAPTPTGER1
SCHEMBL16921609 0.79 LOXL2 (0.44) KMT2APOLBALDH1A1MAPTPTGER1

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 15 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-20170066754-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2017-03-09 US 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-9572813-B2 Antiviral agent SHIONOGI & CO., LTD. (JP) 2017-02-21 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
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-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 KMT2A 516/4885POLB 89/4885KDM4E 336/4885
US-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI KMT2A 667/4885POLB 107/4885KDM4E 382/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI KMT2A 667/4885POLB 107/4885KDM4E 382/4885

“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.