SCHEMBL3937510

SCHEMBL3937510

COC(=O)c1ccc2c(C3CCCCC3)c3n(c2c1)CC(C(=O)NC1CCOCC1)Cc1cc(OC)ccc1-3

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 5/20 0.42
KCNH2 Q12809 7/20 0.42
CYP3A4 P08684 3/20 0.41
SCN5A Q14524 2/20 0.41
EPHX2 P34913 2/20 0.40
TSHR P16473 2/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
NPC1 O15118 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 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
SCHEMBL13940387 0.93 NR1I2 (0.43) NR1I2KCNH2CYP3A4SCN5AEPHX2
SCHEMBL3940102 0.88 NR1I2 (0.42) NR1I2KCNH2CYP3A4SCN5AEPHX2
SCHEMBL13940372 0.84 ALDH1A1 (0.46) NR1I2KCNH2TSHRALDH1A1TP53
SCHEMBL13940294 0.83 PRKCA (0.42) NR1I2CYP3A4CYP2C9CYP2C19ALDH1A1
SCHEMBL13941053 0.82 KCNH2 (0.46) NR1I2KCNH2CYP3A4SCN5ACYP2C9
SCHEMBL13941046 0.82 KCNH2 (0.42) NR1I2KCNH2CYP3A4SCN5ACYP2C9
SCHEMBL13941049 0.82 KCNH2 (0.43) NR1I2KCNH2CYP3A4SCN5ACYP2C9
SCHEMBL13940405 0.81 KCNH2 (0.40) NR1I2KCNH2CYP3A4SCN5ACYP2C9
SCHEMBL18661486 0.81 KCNH2 (0.54) NR1I2KCNH2CYP3A4SCN5ACYP2C9
SCHEMBL5307564 0.81 KCNH2 (0.41) NR1I2KCNH2CYP3A4SCN5AEPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7473688-B2 Indolobenzazepine HCV NS5B inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-01-06 US disclosed
US-7473688-B2 Indolobenzazepine HCV NS5B inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-01-06 US disclosed
US-7473688-B2 Indolobenzazepine HCV NS5B inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-01-06 US disclosed
US-20070078122-A1 Indolobenzazepine HCV NS5B inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-04-05 US disclosed
US-20070078122-A1 Indolobenzazepine HCV NS5B inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-04-05 US disclosed
US-20070078122-A1 Indolobenzazepine HCV NS5B inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-04-05 US disclosed
WO-2007033175-A1 INDOLOBENZAZEPINE HCV NS5B INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-03-22 WO disclosed
WO-2007033175-A1 INDOLOBENZAZEPINE HCV NS5B INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-03-22 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-20070078122-A1 Indolobenzazepine HCV NS5B inhibitors HTR3C, IDO1, HTR3B NR1I2 168/4885KCNH2 356/4885CYP3A4 25/4885

“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.