SCHEMBL17099998

SCHEMBL17099998

CNC(=O)c1c(-c2ccc(F)cc2)oc2cc([N+](=O)[O-])c(-c3cccc(C(=O)OC(C)(C)C)c3)cc12

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.41
CYP2C8 P10632 2/20 0.41
KCNH2 Q12809 1/20 0.40

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
SCHEMBL17099992 0.92 CYP3A4 (0.43) CYP3A4CYP2C8KCNH2
SCHEMBL27822383 0.91 ANO1 (0.39)
SCHEMBL17099990 0.89 CYP3A4 (0.45) CYP3A4CYP2C8KCNH2
SCHEMBL16133733 0.89 CYP3A4 (0.49) CYP3A4CYP2C8KCNH2
SCHEMBL1917729 0.89 CYP3A4 (0.43) CYP3A4CYP2C8KCNH2
SCHEMBL19806162 0.88 CYP3A4 (0.44) CYP3A4CYP2C8KCNH2
SCHEMBL1918078 0.88 CYP3A4 (0.46) CYP3A4CYP2C8KCNH2
SCHEMBL2142190 0.88 MEN1 (0.43)
SCHEMBL18029183 0.87 CYP3A4 (0.43) CYP3A4CYP2C8KCNH2
SCHEMBL15874397 0.86 CYP3A4 (0.42) CYP3A4CYP2C8KCNH2

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3119786-B1 6H-FURO[2,3-E]INDOLE COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL MYERS SQUIBB CO (US) 2018-08-01 EP disclosed
US-20180099953-A1 BENZOFURANS SUBSTITUTED WITH SECONDARY BENZAMIDE AS HCV INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-04-12 US disclosed
US-9914739-B2 6H-furo[2,3-E]indole compounds for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2018-03-13 US disclosed
US-20180030017-A1 BENZOFURANS SUBSTITUTED WITH PRIMARY BENZAMIDE AS HCV INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-02-01 US disclosed
US-20180030019-A1 SUBSTITUTED BENZOFURAN COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL MYERS SQUIBB CO (US) 2018-02-01 US disclosed
US-20170174696-A1 6H-FURO[2,3-E]INDOLE COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL-MYERS SQUIBB COMPANY (US) 2017-06-22 US disclosed
EP-3119786-A1 6H-FURO[2,3-E]INDOLE COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL-MYERS SQUIBB COMPANY (US) 2017-01-25 EP disclosed
WO-2016133963-A1 BENZOFURANS SUBSTITUTED WITH SECONDARY BENZAMIDE AS HCV INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2016-08-25 WO disclosed
WO-2016133970-A1 BENZOFURANS SUBSTITUTED WITH PRIMARY BENZAMIDE AS HCV INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2016-08-25 WO disclosed
WO-2016133972-A1 SUBSTITUTED BENZOFURAN COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL-MYERS SQUIBB COMPANY (US) 2016-08-25 WO disclosed
WO-2015143257-A1 6H-FURO[2,3-E]INDOLE COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL-MYERS SQUIBB COMPANY (US) 2015-09-24 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 (4 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-20180099953-A1 BENZOFURANS SUBSTITUTED WITH SECONDARY BENZAMIDE AS HCV INHIBITORS EIF2AK2, UGT2B7, TMBIM6 CYP3A4 107/4885CYP2C8 44/4885KCNH2 2222/4885
US-20170174696-A1 6H-FURO[2,3-E]INDOLE COMPOUNDS FOR THE TREATMENT OF HEPATITIS C IDO1, IDO2, HCCS CYP3A4 69/4885CYP2C8 93/4885KCNH2 1938/4885
US-20180030019-A1 SUBSTITUTED BENZOFURAN COMPOUNDS FOR THE TREATMENT OF HEPATITIS C GOT1, GOT2, HAVCR2 CYP3A4 49/4885CYP2C8 32/4885KCNH2 3212/4885
US-20180030017-A1 BENZOFURANS SUBSTITUTED WITH PRIMARY BENZAMIDE AS HCV INHIBITORS ZC3HAV1, TMBIM6, EIF2AK2 CYP3A4 159/4885CYP2C8 64/4885KCNH2 2612/4885

“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.