SCHEMBL756338

SCHEMBL756338

O=C(O)c1[nH]c2ccccc2c(=O)c1O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.57
ALDH1A1 P00352 6/20 0.57
HPGD P15428 4/20 0.57
GAA P10253 4/20 0.53
GLA P06280 2/20 0.53
LMNA P02545 1/20 0.53
HTT P42858 1/20 0.53
ATM Q13315 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
MEN1 O00255 6/20 0.53
KMT2A Q03164 6/20 0.53
POLB P06746 2/20 0.53
PBRM1 Q86U86 1/20 0.53
FOLH1 Q04609 1/20 0.51
MAPT P10636 3/20 0.50
TDP1 Q9NUW8 2/20 0.50
IDE P14735 1/20 0.50
MPI P34949 1/20 0.50
CACNA1B Q00975 1/20 0.50
APBA1 Q02410 1/20 0.50

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
SCHEMBL30393982 1.00 KDM4E (0.57) KDM4EALDH1A1HPGDGAAGLA
SCHEMBL62193 0.87 KDM4E (0.62) KDM4EALDH1A1HPGDGAAMEN1
SCHEMBL30366683 0.87 KDM4E (0.62) KDM4EALDH1A1HPGDGAAMEN1
SCHEMBL5273233 0.81 ALDH1A1 (0.56) KDM4EALDH1A1HPGDGAAGLA
SCHEMBL8682628 0.81 KDM4E (0.56) KDM4EALDH1A1HPGDGAAGLA
SCHEMBL30000925 0.81 ALDH1A1 (0.56) KDM4EALDH1A1HPGDGAAGLA
SCHEMBL1627825 0.76 SERPINE1 (0.62) KDM4EALDH1A1HPGDGAAGLA
SCHEMBL30165919 0.76 SERPINE1 (0.62) KDM4EALDH1A1HPGDGAAGLA
SCHEMBL2399274 0.76 ALDH1A1 (0.63) KDM4EALDH1A1HPGDGAAHTT
SCHEMBL87871 0.76 KDM4E (0.65) KDM4EALDH1A1HPGDGAAMEN1

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 14 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
CN-101513402-B Antiviral agent SHIONOGI & CO 2012-03-21 CN 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
CN-101513402-A Antiviral agent SHIONOGI & CO (JP) 2009-08-26 CN disclosed
CN-100491349-C Antiviral agent SHIONOGI & CO (JP) 2009-05-27 CN disclosed
CN-1558898-A Antiviral agent ��Ұ����ҩ��ʽ���� 2004-12-29 CN 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 KDM4E 336/4885ALDH1A1 658/4885HPGD 2278/4885
US-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI KDM4E 382/4885ALDH1A1 424/4885HPGD 2594/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI KDM4E 382/4885ALDH1A1 424/4885HPGD 2594/4885

“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.