SCHEMBL754612

SCHEMBL754612

CC(=O)OCc1cnc(C(=O)c2ccc(F)cc2)cn1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.40
NPC1 O15118 3/20 0.38
RXFP1 Q9HBX9 1/20 0.38
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
LTA4H P09960 1/20 0.37
GRM2 Q14416 1/20 0.35
P4HTM Q9NXG6 2/20 0.35
ALDH1A1 P00352 2/20 0.35
GAA P10253 2/20 0.35
CHRNA7 P36544 2/20 0.35
SYK P43405 1/20 0.35
NR4A2 P43354 1/20 0.35
VNN1 O95497 1/20 0.34
PDE10A Q9Y233 1/20 0.34

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
SCHEMBL752920 0.79 MAOB (0.42) MAOBALDH1A1NR4A2
SCHEMBL754255 0.74 CNR2 (0.34) MAOBALDH1A1
SCHEMBL756842 0.73 NPC1 (0.60) NPC1RXFP1RAB9ASMN1; SMN2LTA4H
SCHEMBL9566786 0.73 CXCR2 (0.57) NPC1RAB9AP4HTMALDH1A1
SCHEMBL2933128 0.71 ALDH1A1 (0.41) ALDH1A1
SCHEMBL14420953 0.70 POLB (0.46) RXFP1SMN1; SMN2ALDH1A1
SCHEMBL13140958 0.70 ALDH1A1 (0.40) ALDH1A1
SCHEMBL14811677 0.69 MAPT (0.50) P4HTMALDH1A1
SCHEMBL11387130 0.68 P4HTM (0.56) RAB9ASMN1; SMN2P4HTMALDH1A1GAA
SCHEMBL24027230 0.68 ALDH1A1 (0.43) P4HTMALDH1A1

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 17 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
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 MAOB 709/4885NPC1 1838/4885RXFP1 4551/4885
US-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI MAOB 900/4885NPC1 2338/4885RXFP1 4067/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI MAOB 900/4885NPC1 2338/4885RXFP1 4067/4885

“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.