SCHEMBL19198543

SCHEMBL19198543

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

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 8/20 0.41
CYP2C8 P10632 5/20 0.41
CYP3A4 P08684 4/20 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
SCHEMBL19197783 0.88 KCNH2 (0.47) KCNH2CYP2C8CYP3A4NR1I2
SCHEMBL19198127 0.86 KCNH2 (0.42) KCNH2CYP2C8CYP3A4
SCHEMBL19198140 0.85 KCNH2 (0.46) KCNH2CYP2C8
SCHEMBL19193981 0.82 ANO1 (0.36)
SCHEMBL19197887 0.78 KCNH2 (0.50) KCNH2CYP2C8CYP3A4NR1I2
SCHEMBL1918982 0.78 KCNH2 (0.52) KCNH2CYP2C8
SCHEMBL2436747 0.76 AR (0.45) KCNH2CYP2C8CYP3A4
SCHEMBL2842305 0.75 CYP3A4 (0.54) KCNH2CYP2C8CYP3A4NR1I2
SCHEMBL6120116 0.74 CYP2C9 (0.44) KCNH2CYP2C8CYP3A4
SCHEMBL2368951 0.74 KCNH2 (0.41) KCNH2CYP2C8CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10202403-B2 Macrocyclic benzofuran compounds for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2019-02-12 US disclosed
US-20170217989-A1 MACROCYCLIC BENZOFURAN COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL MYERS SQUIBB CO (US) 2017-08-03 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-10202403-B2 Macrocyclic benzofuran compounds for the treatment of hepatitis C ZC3HAV1, HAVCR2, HCCS KCNH2 2739/4885CYP2C8 50/4885CYP3A4 51/4885
US-20170217989-A1 MACROCYCLIC BENZOFURAN COMPOUNDS FOR THE TREATMENT OF HEPATITIS C ZC3HAV1, HAVCR2, HCCS KCNH2 2739/4885CYP2C8 50/4885CYP3A4 51/4885

“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.