SCHEMBL9900648

SCHEMBL9900648

CNC(=O)c1c(-c2ccc(F)cc2)oc2cc([N+](=O)[O-])c(-c3ccc(OC)c(C(=O)O)c3)cc12

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.41
CYP2C8 P10632 4/20 0.41
ANO1 Q5XXA6 2/20 0.39
KCNH2 Q12809 2/20 0.39
NR1I2 O75469 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
SCHEMBL9899869 0.93 CYP3A4 (0.40) CYP3A4CYP2C8KCNH2NR1I2
SCHEMBL1919109 0.87 CYP3A4 (0.44) CYP3A4CYP2C8ANO1KCNH2NR1I2
SCHEMBL10241066 0.86 CYP2C8 (0.57) CYP3A4CYP2C8KCNH2NR1I2
SCHEMBL17100003 0.86 CYP3A4 (0.36) CYP3A4CYP2C8KCNH2
SCHEMBL3537382 0.86 L3MBTL1 (0.41) CYP3A4CYP2C8ANO1KCNH2
SCHEMBL9920462 0.85 CYP3A4 (0.39) CYP3A4CYP2C8ANO1KCNH2
SCHEMBL18038598 0.84 ANO1 (0.43) CYP3A4CYP2C8ANO1KCNH2NR1I2
SCHEMBL18038583 0.84 CYP3A4 (0.42) CYP3A4CYP2C8ANO1KCNH2NR1I2
SCHEMBL1917677 0.84 ANO1 (0.49) CYP3A4CYP2C8ANO1KCNH2NR1I2
SCHEMBL1918078 0.83 CYP3A4 (0.46) 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2649067-B1 BENZOFURANE DERIVATIVES FOR THE TREATMENT OF HEPATITITS C BRISTOL MYERS SQUIBB CO (US) 2014-11-19 EP disclosed
EP-2649067-B1 BENZOFURANE DERIVATIVES FOR THE TREATMENT OF HEPATITITS C BRISTOL MYERS SQUIBB CO (US) 2014-11-19 EP disclosed
EP-2649067-A1 BENZOFURANE DERIVATIVES FOR THE TREATMENT OF HEPATITITS C Bristol-Myers Squibb Company (US) 2013-10-16 EP disclosed
US-8507683-B2 Compounds for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2013-08-13 US disclosed
US-8507683-B2 Compounds for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2013-08-13 US disclosed
US-20120309770-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2012-12-06 US disclosed
US-20120309770-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2012-12-06 US disclosed
WO-2012078545-A1 BENZOFURANE DERIVATIVES FOR THE TREATMENT OF HEPATITITS C BRISTOL-MYERS SQUIBB COMPANY (US) 2012-06-14 WO disclosed
WO-2012078545-A1 BENZOFURANE DERIVATIVES FOR THE TREATMENT OF HEPATITITS C BRISTOL-MYERS SQUIBB COMPANY (US) 2012-06-14 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 (1 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-20120309770-A1 Compounds for the Treatment of Hepatitis C HAVCR2, HCCS, SLC10A1 CYP3A4 299/4885CYP2C8 85/4885ANO1 1786/4885

“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.