SCHEMBL14217296

SCHEMBL14217296

CNC(=O)c1c(-c2ccc(F)cc2)oc2ccc(-c3cc(C(C)=O)ccc3C)c(F)c12

nearest known ligand 0.68

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 7/20 0.68
CYP2C8 P10632 6/20 0.68
CYP3A4 P08684 5/20 0.52
NR1I2 O75469 1/20 0.49
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TP53 P04637 1/20 0.37
MAPT P10636 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
SCHEMBL142336 0.92 KCNH2 (0.68) KCNH2CYP2C8CYP3A4NR1I2
SCHEMBL18751647 0.91 CYP2C8 (0.67) KCNH2CYP2C8CYP3A4NR1I2
SCHEMBL9919844 0.90 CYP2C8 (0.66) KCNH2CYP2C8CYP3A4NR1I2MAPT
SCHEMBL10242360 0.88 CYP2C8 (0.58) KCNH2CYP2C8CYP3A4NR1I2TP53
SCHEMBL10242549 0.87 CYP2C8 (0.55) KCNH2CYP2C8CYP3A4NR1I2
SCHEMBL12447856 0.85 KCNH2 (0.60) KCNH2CYP2C8CYP3A4NR1I2
SCHEMBL1919345 0.84 CYP2C8 (0.58) KCNH2CYP2C8CYP3A4NR1I2
SCHEMBL1919338 0.82 CYP2C8 (0.57) KCNH2CYP2C8CYP3A4NR1I2SMN1; SMN2
SCHEMBL10242345 0.82 CYP2C8 (0.53) KCNH2CYP2C8CYP3A4NR1I2KDM4E
SCHEMBL2141860 0.82 CYP2C8 (0.84) KCNH2CYP2C8CYP3A4NR1I2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9096580-B2 Benzofuran derivatives for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2015-08-04 US disclosed
US-20150141395-A1 BENZOFURAN DERIVATIVES FOR THE TREATMENT OF HEPATITIS C BRISTOL-MYERS SQUIBB COMPANY 2015-05-21 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20150141395-A1 BENZOFURAN DERIVATIVES FOR THE TREATMENT OF HEPATITIS C HAVCR2, UGT2B7, GOT1 KCNH2 3615/4885CYP2C8 56/4885CYP3A4 125/4885
US-20120309770-A1 Compounds for the Treatment of Hepatitis C HAVCR2, HCCS, SLC10A1 KCNH2 3814/4885CYP2C8 85/4885CYP3A4 299/4885

“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.