SCHEMBL851831

SCHEMBL851831

COc1ccc(-c2c(C3CCCCC3)c3ccc(C(=O)NS(=O)(=O)N(C)C(C)C)cc3n2CC2(C(=O)O)CC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 6/20 0.47
KCNH2 Q12809 7/20 0.46
CYP3A4 P08684 4/20 0.46
SCN5A Q14524 2/20 0.46
CYP2C19 P33261 2/20 0.45
CYP2C9 P11712 1/20 0.45
SCN9A Q15858 6/20 0.44

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
SCHEMBL10155268 0.94 NR1I2 (0.47) NR1I2KCNH2CYP3A4SCN5ACYP2C19
SCHEMBL848226 0.94 KCNH2 (0.52) NR1I2KCNH2CYP3A4SCN5ACYP2C19
SCHEMBL5050368 0.92 KCNH2 (0.47) NR1I2KCNH2CYP3A4SCN5ACYP2C19
SCHEMBL12053915 0.92 KCNH2 (0.46) NR1I2KCNH2CYP3A4SCN5ACYP2C19
SCHEMBL5051048 0.91 KCNH2 (0.46) NR1I2KCNH2CYP3A4SCN5ACYP2C19
SCHEMBL10082380 0.91 KCNH2 (0.52) NR1I2KCNH2CYP3A4SCN5ACYP2C19
SCHEMBL5048729 0.90 SCN9A (0.46) NR1I2KCNH2CYP3A4SCN5ACYP2C19
SCHEMBL5049349 0.90 SCN9A (0.46) NR1I2KCNH2CYP3A4SCN5ACYP2C19
SCHEMBL12653138 0.90 KCNH2 (0.44) NR1I2KCNH2CYP3A4SCN5ACYP2C19
SCHEMBL15474153 0.89 NR1I2 (0.57) NR1I2KCNH2CYP3A4SCN5ACYP2C19

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 3 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-20110311480-A1 Cyclopropyl Fused Indolobenzazepine HCV NS5B Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-12-22 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 (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-20110311480-A1 Cyclopropyl Fused Indolobenzazepine HCV NS5B Inhibitors HAVCR2, ZC3HAV1, HCCS NR1I2 298/4885KCNH2 2019/4885CYP3A4 54/4885
US-20100216774-A1 Cyclopropyl Fused Indolobenzazepine HCV NS5B Inhibitors HAVCR2, EIF2AK2, HCCS NR1I2 282/4885KCNH2 2055/4885CYP3A4 163/4885

“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.