SCHEMBL755812

SCHEMBL755812

Cc1ncc(Oc2ccc(F)cc2)cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
KDM4E B2RXH2 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.43
SCN4A P35499 2/20 0.43
HTT P42858 1/20 0.43
GAA P10253 1/20 0.43
ALDH1A1 P00352 2/20 0.42
HSPB1 P04792 2/20 0.41
SOS1 Q07889 1/20 0.41
MRGPRX1 Q96LB2 1/20 0.41
LTA4H P09960 1/20 0.39
CYP1A2 P05177 3/20 0.38
CYP2C19 P33261 3/20 0.38
KCNH2 Q12809 2/20 0.38
SCN5A Q14524 2/20 0.38
SCN9A Q15858 2/20 0.38
CYP3A4 P08684 2/20 0.38
TRPA1 O75762 1/20 0.37
CYP2D6 P10635 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
SCHEMBL751951 0.82 MEN1 (0.44) MEN1KMT2AKDM4EL3MBTL1SCN4A
SCHEMBL13005381 0.81 LTA4H (0.52) MEN1KMT2AL3MBTL1HTTALDH1A1
SCHEMBL4796162 0.79 TEAD4 (0.59) MEN1KMT2AKDM4EGAAALDH1A1
SCHEMBL15578302 0.79 MEN1 (0.46) MEN1KMT2AKDM4EL3MBTL1SCN4A
SCHEMBL4796155 0.79 TEAD4 (0.34) MEN1KMT2AKDM4EHTTALDH1A1
SCHEMBL12967309 0.79 L3MBTL1 (0.42) MEN1KMT2AKDM4EL3MBTL1SCN4A
SCHEMBL12937244 0.79 MEN1 (0.42) MEN1KMT2AKDM4EL3MBTL1SCN4A
SCHEMBL13218161 0.79 MEN1 (0.42) MEN1KMT2AKDM4EL3MBTL1SCN4A
SCHEMBL754535 0.78 LTA4H (0.55) L3MBTL1HTTALDH1A1LTA4H
SCHEMBL20176875 0.77 LTA4H (0.39) HTTLTA4HSCN9ACYP3A4CYP2D6

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-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-9309260-B2 Inhibitors of hepatitis C virus PRESIDIO PHARMACEUTICALS, INC. (US) 2016-04-12 US disclosed
US-20150202208-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2015-07-23 US disclosed
US-9085587-B2 Inhibitors of hepatitis C virus PRESIDIO PHARMACEUTICALS, INC. (US) 2015-07-21 US disclosed
US-20130302282-A1 Inhibitors of Hepatitis C Virus PRESIDIO PHARMACEUTICALS, INC. (US) 2013-11-14 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
US-20100204237-A1 Hydroxypyrimidinone derivatives having inhibitory activity against HIV integrase MIKAMIYAMA HIDENORI 2010-08-12 US disclosed
US-7745453-B2 Hydroxypyrimidinone derivatives having inhibitory activity against HIV integrase SHIONOGI & CO., LTD. (JP) 2010-06-29 US disclosed
EP-2181985-A1 Antiviral Agent SHIONOGI & CO., LTD. (JP) 2010-05-05 EP disclosed
US-20070149556-A1 Hydroxypyrimidinone derivatives having inhibitory activity against hiv integrase SHIONOGI & CO., LTD. (JP) 2007-06-28 US 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 (6 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-20070149556-A1 Hydroxypyrimidinone derivatives having inhibitory activity against hiv integrase HAT1, SULT1A1, CDK20 MEN1 4651/4885KMT2A 1167/4885KDM4E 930/4885
US-20040229909-A1 Antiviral agent ZC3HAV1, ZC3HAV1L, DUT MEN1 4766/4885KMT2A 516/4885KDM4E 336/4885
US-20130302282-A1 Inhibitors of Hepatitis C Virus HAVCR2, LIPC, HCCS MEN1 4815/4885KMT2A 4092/4885KDM4E 3905/4885
US-20100204237-A1 Hydroxypyrimidinone derivatives having inhibitory activity against HIV integrase HAT1, SULT1A1, CDK20 MEN1 4651/4885KMT2A 1167/4885KDM4E 930/4885
US-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI MEN1 4775/4885KMT2A 667/4885KDM4E 382/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI MEN1 4775/4885KMT2A 667/4885KDM4E 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.