SCHEMBL754737

SCHEMBL754737

O=C(NCc1ccccc1)c1cc(=O)c(O)c(C(=O)c2ccc(Cc3ccc(F)cc3)o2)o1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
LMNA P02545 3/20 0.48
KDM4E B2RXH2 1/20 0.48
HPGD P15428 1/20 0.48
POLB P06746 5/20 0.48
TP53 P04637 3/20 0.48
MMP3 P08254 3/20 0.47
MMP12 P39900 2/20 0.47
MMP1 P03956 1/20 0.47
MMP2 P08253 1/20 0.47
MMP7 P09237 1/20 0.47
MMP9 P14780 1/20 0.47
MMP8 P22894 1/20 0.47
MMP13 P45452 1/20 0.47
USP2 O75604 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
GNRHR P30968 1/20 0.43

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
SCHEMBL752233 0.87 MAPT (0.48) ALDH1A1LMNAKDM4EHPGDPOLB
SCHEMBL753088 0.86 POLB (0.38) ALDH1A1LMNAPOLBMMP3MMP12
SCHEMBL752163 0.86 LMNA (0.48) ALDH1A1LMNAKDM4EHPGDPOLB
Dimethylamine SCHEMBL752802 0.85 CNR2 (0.38) ALDH1A1LMNAPOLBMMP3MMP12
SCHEMBL755706 0.85 MMP3 (0.41) ALDH1A1LMNAKDM4EHPGDPOLB
Benzylamine SCHEMBL754738 0.85 POLB (0.38) ALDH1A1LMNAKDM4EPOLBTP53
SCHEMBL755785 0.85 ALDH1A1 (0.39) ALDH1A1LMNAKDM4EHPGDPOLB
Aniline SCHEMBL752234 0.84 ALDH1A1 (0.38) ALDH1A1LMNAKDM4EPOLBMMP3
SCHEMBL754998 0.83 KMT2A (0.42) ALDH1A1LMNAHPGDPOLBMMP3
Methylamine SCHEMBL753441 0.83 CNR2 (0.38) ALDH1A1KDM4EPOLBMMP3MMP12

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
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-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-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 ALDH1A1 658/4885LMNA 2825/4885KDM4E 336/4885
US-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI ALDH1A1 424/4885LMNA 2945/4885KDM4E 382/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI ALDH1A1 424/4885LMNA 2945/4885KDM4E 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.