SCHEMBL2297507

SCHEMBL2297507

COC(=O)c1c(-c2ccc(F)cc2)oc2cc([N+](=O)[O-])c(OS(=O)(=O)C(F)(F)F)cc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.38
ATM Q13315 1/20 0.38
ANO1 Q5XXA6 2/20 0.37
ALDH3A1 P30838 1/20 0.36
RCE1 Q9Y256 1/20 0.36
ALDH1A1 P00352 2/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
EPAS1 Q99814 1/20 0.34
F2 P00734 1/20 0.34
F11 P03951 1/20 0.34
MAPT P10636 5/20 0.34
TP53 P04637 2/20 0.34
LMNA P02545 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
THRB P10828 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
SCHEMBL6120605 0.92 MYC (0.41) L3MBTL1ATMANO1ALDH3A1RCE1
SCHEMBL1919590 0.90 MEN1 (0.44) L3MBTL1ALDH1A1MEN1KMT2AMAPT
SCHEMBL1918380 0.90 CYP3A4 (0.41) L3MBTL1
SCHEMBL2299438 0.87 PTGS2 (0.49) L3MBTL1RCE1ALDH1A1MEN1KMT2A
SCHEMBL2301053 0.83 L3MBTL1 (0.40) L3MBTL1ATMANO1RCE1ALDH1A1
SCHEMBL6119754 0.82 MEN1 (0.44) L3MBTL1ALDH1A1MEN1KMT2AMAPT
SCHEMBL2298446 0.82 ALOX5 (0.53) L3MBTL1ALDH1A1MEN1KMT2AMAPT
SCHEMBL2298490 0.82 EPAS1 (0.38) ANO1ALDH3A1ALDH1A1EPAS1TP53
SCHEMBL2294300 0.81 ATM (0.44) L3MBTL1ATMANO1RCE1MEN1
SCHEMBL6119663 0.81 MEN1 (0.44) L3MBTL1ALDH1A1MEN1KMT2AMAPT

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-2744342-B1 THERAPEUTIC METHODS GLAXOSMITHKLINE LLC (US) 2019-04-24 EP disclosed
US-10238678-B2 Therapeutic methods GLAXOSMITHKLINE LLC (US) 2019-03-26 US disclosed
EP-3199531-A1 BENZOFURAN COMPOUNDS FOR THE TREATMENT OF HEPATITIS C VIRUS INFECTIONS Glaxo Group Limited (GB) 2017-08-02 EP disclosed
US-9682999-B2 Benzofuran compounds for the treatment of hepatitis C virus infections GLAXO GROUP LIMITED (GB) 2017-06-20 US disclosed
EP-2744332-B1 BENZOFURAN COMPOUNDS FOR THE TREATMENT OF HEPATITIS C VIRUS INFECTIONS GLAXO GROUP LTD (GB) 2016-10-26 EP disclosed
US-20150320777-A1 Therapeutic Methods GLAXOSMITHKLINE LLC 2015-11-12 US disclosed
US-9119868-B2 Therapeutic methods GLAXOSMITHKLINE LLC (US) 2015-09-01 US disclosed
US-20150080343-A1 Benzofuran Compounds For The Treatment Of Hepatitis C Virus Infections GLAXO GROUP LIMITED (GB) 2015-03-19 US disclosed
US-8927593-B2 Benzofuran compounds for the treatment of hepatitis C virus infections GLAXO GROUP LIMITED (GB) 2015-01-06 US disclosed
US-20140212384-A1 Therapeutic Methods GLAXOSMITHKLINE LLC 2014-07-31 US disclosed
EP-2744332-A1 BENZOFURAN COMPOUNDS FOR THE TREATMENT OF HEPATITIS C VIRUS INFECTIONS Glaxo Group Limited (GB) 2014-06-25 EP disclosed
EP-2744342-A1 THERAPEUTIC METHODS GlaxoSmithKline LLC (US) 2014-06-25 EP disclosed
US-20130237501-A1 Benzofuran Compounds For The Treatment Of Hepatitis C Virus Infections GLAXO GROUP LIMITED (GB) 2013-09-12 US disclosed
WO-2013028371-A1 BENZOFURAN COMPOUNDS FOR THE TREATMENT OF HEPATITIS C VIRUS INFECTIONS GLAXO GROUP LIMITED (GB) 2013-02-28 WO disclosed
WO-2013025992-A1 THERAPEUTIC METHODS GLAXOSMITHKLINE LLC (US) 2013-02-21 WO disclosed
WO-2012067663-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2012-05-24 WO disclosed
WO-2011103063-A1 THERAPEUTIC COMPOUNDS GLAXO GROUP LIMITED (GB) 2011-08-25 WO 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 (5 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-20130237501-A1 Benzofuran Compounds For The Treatment Of Hepatitis C Virus Infections UGT1A1, CYP3A43, ZC3HAV1 L3MBTL1 3684/4885ATM 4303/4885ANO1 2977/4885
US-20150320777-A1 Therapeutic Methods HAVCR2, SLC10A1, OAT L3MBTL1 4103/4885ATM 4854/4885ANO1 2789/4885
US-20150080343-A1 Benzofuran Compounds For The Treatment Of Hepatitis C Virus Infections UGT1A1, CYP3A43, ZC3HAV1 L3MBTL1 3684/4885ATM 4303/4885ANO1 2977/4885
US-10238678-B2 Therapeutic methods HAVCR2, SLC10A1, OAT L3MBTL1 4103/4885ATM 4854/4885ANO1 2789/4885
US-20140212384-A1 Therapeutic Methods HAVCR2, SLC10A1, OAT L3MBTL1 4103/4885ATM 4854/4885ANO1 2789/4885

“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.