SCHEMBL2298446

SCHEMBL2298446

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

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 4/20 0.53
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
PRNP P04156 1/20 0.44
GAA P10253 1/20 0.43
TP53 P04637 7/20 0.42
MAPT P10636 4/20 0.42
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 3/20 0.42
HPGD P15428 3/20 0.42
THRB P10828 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PTGS2 P35354 2/20 0.42
POLB P06746 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL1919590 0.92 MEN1 (0.44) ALOX5MEN1KMT2APRNPGAA
SCHEMBL6119754 0.92 MEN1 (0.44) ALOX5MEN1KMT2APRNPGAA
SCHEMBL2299438 0.89 PTGS2 (0.49) ALOX5MEN1KMT2APRNPGAA
SCHEMBL2298490 0.89 EPAS1 (0.38) ALOX5TP53KDM4EALDH1A1HPGD
SCHEMBL6119663 0.87 MEN1 (0.44) ALOX5MEN1KMT2APRNPGAA
SCHEMBL3395972 0.86 PTGS2 (0.50) MEN1KMT2APRNPGAATP53
SCHEMBL2301421 0.83 ALOX5 (0.57) ALOX5MEN1KMT2APRNPGAA
SCHEMBL2297507 0.82 L3MBTL1 (0.38) MEN1KMT2AGAATP53MAPT
SCHEMBL2295062 0.82 ALOX5 (0.66) ALOX5MEN1KMT2APRNPGAA
SCHEMBL6120605 0.82 MYC (0.41) MEN1KMT2AMAPTKDM4EALDH1A1

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-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 ALOX5 1161/4885MEN1 4450/4885KMT2A 3110/4885
US-20150320777-A1 Therapeutic Methods HAVCR2, SLC10A1, OAT ALOX5 1534/4885MEN1 4207/4885KMT2A 4626/4885
US-20150080343-A1 Benzofuran Compounds For The Treatment Of Hepatitis C Virus Infections UGT1A1, CYP3A43, ZC3HAV1 ALOX5 1161/4885MEN1 4450/4885KMT2A 3110/4885
US-10238678-B2 Therapeutic methods HAVCR2, SLC10A1, OAT ALOX5 1534/4885MEN1 4207/4885KMT2A 4626/4885
US-20140212384-A1 Therapeutic Methods HAVCR2, SLC10A1, OAT ALOX5 1534/4885MEN1 4207/4885KMT2A 4626/4885

“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.