SCHEMBL752163

SCHEMBL752163

O=C(NCc1ccccc1)c1cc(=O)c(OCc2ccccc2)c(C(=O)c2ccc(Cc3ccc(F)cc3)o2)o1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.48
MAPT P10636 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
ALDH1A1 P00352 6/20 0.44
KDM4E B2RXH2 1/20 0.44
HPGD P15428 1/20 0.44
POLB P06746 4/20 0.44
TP53 P04637 3/20 0.44
USP2 O75604 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
SGMS2 Q8NHU3 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
RAB9A P51151 1/20 0.40
SENP5 Q96HI0 1/20 0.40
SENP2 Q9HC62 1/20 0.40
SENP1 Q9P0U3 1/20 0.40
GNRHR P30968 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
SCHEMBL752918 0.91 MAPT (0.43) LMNAMAPTL3MBTL1ALDH1A1POLB
SCHEMBL16925414 0.90 POLB (0.43) LMNAMAPTL3MBTL1ALDH1A1KDM4E
SCHEMBL753517 0.87 KMT2A (0.42) LMNAALDH1A1HPGDPOLBUSP2
Benzylamine SCHEMBL752164 0.86 MAPT (0.40) LMNAMAPTL3MBTL1POLBKMT2A
SCHEMBL754737 0.86 ALDH1A1 (0.48) LMNAALDH1A1KDM4EHPGDPOLB
SCHEMBL755356 0.85 PTGER1 (0.39) LMNAMAPTL3MBTL1ALDH1A1POLB
SCHEMBL16921603 0.84 SMN1; SMN2 (0.43) LMNAMAPTL3MBTL1ALDH1A1KDM4E
SCHEMBL751907 0.84 PTGER1 (0.40) LMNAMAPTL3MBTL1ALDH1A1KDM4E
SCHEMBL16921609 0.83 LOXL2 (0.44) LMNAMAPTL3MBTL1ALDH1A1POLB
SCHEMBL753158 0.83 PTGER1 (0.40) LMNAMAPTL3MBTL1ALDH1A1POLB

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 12 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-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
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 (2 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 LMNA 2825/4885MAPT 4635/4885L3MBTL1 623/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI LMNA 2945/4885MAPT 4426/4885L3MBTL1 1368/4885

“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.