SCHEMBL2298490

SCHEMBL2298490

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

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPAS1 Q99814 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
ALOX5 P09917 1/20 0.36
ANO1 Q5XXA6 5/20 0.35
PTPN22 Q9Y2R2 1/20 0.35
HPGD P15428 2/20 0.35
LMNA P02545 1/20 0.35
PTPN1 P18031 1/20 0.35
ALDH3A1 P30838 1/20 0.34
TP53 P04637 1/20 0.34
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPK1 P28482 1/20 0.34
RECQL P46063 1/20 0.34
HSD17B10 Q99714 1/20 0.34
POLB P06746 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
SCHEMBL2298446 0.89 ALOX5 (0.53) SMN1; SMN2ALOX5HPGDTP53ALDH1A1
SCHEMBL6120357 0.85 ANO1 (0.40) EPAS1ANO1PTPN22HPGDPTPN1
SCHEMBL6120351 0.85 ANO1 (0.40) EPAS1ANO1PTPN22HPGDPTPN1
SCHEMBL2297507 0.82 L3MBTL1 (0.38) EPAS1SMN1; SMN2ANO1LMNAPTPN1
SCHEMBL1918380 0.81 CYP3A4 (0.41)
SCHEMBL6120605 0.81 MYC (0.41) SMN1; SMN2ANO1HPGDALDH3A1ALDH1A1
SCHEMBL1919590 0.80 MEN1 (0.44) SMN1; SMN2ALOX5HPGDTP53ALDH1A1
SCHEMBL6119754 0.79 MEN1 (0.44) SMN1; SMN2ALOX5HPGDTP53ALDH1A1
SCHEMBL2298447 0.78 MAPT (0.36) ALOX5ANO1PTPN22HPGDALDH1A1
SCHEMBL2299438 0.77 PTGS2 (0.49) SMN1; SMN2ALOX5HPGDTP53ALDH1A1

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 16 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
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-2744342-A1 THERAPEUTIC METHODS GlaxoSmithKline LLC (US) 2014-06-25 EP disclosed
EP-2744332-A1 BENZOFURAN COMPOUNDS FOR THE TREATMENT OF HEPATITIS C VIRUS INFECTIONS Glaxo Group Limited (GB) 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 EPAS1 2406/4885SMN1; SMN2 2415/4885ALOX5 1161/4885
US-20150320777-A1 Therapeutic Methods HAVCR2, SLC10A1, OAT EPAS1 3955/4885SMN1; SMN2 1957/4885ALOX5 1534/4885
US-20150080343-A1 Benzofuran Compounds For The Treatment Of Hepatitis C Virus Infections UGT1A1, CYP3A43, ZC3HAV1 EPAS1 2406/4885SMN1; SMN2 2415/4885ALOX5 1161/4885
US-10238678-B2 Therapeutic methods HAVCR2, SLC10A1, OAT EPAS1 3955/4885SMN1; SMN2 1957/4885ALOX5 1534/4885
US-20140212384-A1 Therapeutic Methods HAVCR2, SLC10A1, OAT EPAS1 3955/4885SMN1; SMN2 1957/4885ALOX5 1534/4885

“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.