SCHEMBL828272

SCHEMBL828272

COc1ccc2c(c1)C(C(=O)O)=CCn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)C3CC3)cc21

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 7/20 0.57
SCN9A Q15858 9/20 0.56
NR1I2 O75469 4/20 0.50
SCN5A Q14524 3/20 0.49
CYP3A4 P08684 2/20 0.49

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
SCHEMBL50868 0.83 KCNH2 (0.56) KCNH2SCN9ANR1I2SCN5ACYP3A4
SCHEMBL825149 0.82 KCNH2 (0.58) KCNH2SCN9ANR1I2SCN5ACYP3A4
SCHEMBL14088770 0.81 KCNH2 (0.62) KCNH2SCN9ANR1I2SCN5ACYP3A4
SCHEMBL51250 0.80 KCNH2 (0.56) KCNH2SCN9ANR1I2SCN5ACYP3A4
SCHEMBL51063 0.80 KCNH2 (0.79) KCNH2SCN9ANR1I2SCN5ACYP3A4
SCHEMBL11893094 0.79 KCNH2 (0.57) KCNH2SCN9ANR1I2SCN5ACYP3A4
SCHEMBL50660 0.78 KCNH2 (0.79) KCNH2SCN9ANR1I2SCN5ACYP3A4
SCHEMBL12715680 0.78 KCNH2 (0.70) KCNH2SCN9ANR1I2SCN5ACYP3A4
SCHEMBL14086442 0.77 KCNH2 (0.79) KCNH2SCN9ANR1I2SCN5ACYP3A4
SCHEMBL863149 0.77 KCNH2 (0.49) KCNH2SCN9ANR1I2SCN5ACYP3A4

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-8143244-B2 Cyclopropyl fused indolobenzazepine HCV NS5B inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-27 US disclosed
US-20100216774-A1 Cyclopropyl Fused Indolobenzazepine HCV NS5B Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2010-08-26 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 (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-20100216774-A1 Cyclopropyl Fused Indolobenzazepine HCV NS5B Inhibitors HAVCR2, EIF2AK2, HCCS KCNH2 2055/4885SCN9A 395/4885NR1I2 282/4885

“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.