SCHEMBL3940102

SCHEMBL3940102

COc1ccc2c(c1)CC(NC(=O)C1CCOCC1)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)O)cc21

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 6/20 0.42
PRKCA P17252 1/20 0.42
MMP12 P39900 1/20 0.42
KCNH2 Q12809 7/20 0.42
CYP3A4 P08684 3/20 0.41
SCN5A Q14524 2/20 0.41
TP53 P04637 2/20 0.40
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
EPHX2 P34913 1/20 0.39
NPC1 O15118 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
SCN9A Q15858 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 0.95 NR1I2 (0.43) NR1I2KCNH2CYP3A4SCN5ATP53
SCHEMBL5307564 0.91 KCNH2 (0.41) NR1I2PRKCAMMP12KCNH2CYP3A4
SCHEMBL3937510 0.88 NR1I2 (0.42) NR1I2KCNH2CYP3A4SCN5ATP53
SCHEMBL3945379 0.88 PRKCA (0.49) NR1I2PRKCAMMP12EPHX2SCN9A
SCHEMBL3940946 0.85 PRKCA (0.44) NR1I2PRKCAMMP12KCNH2CYP3A4
SCHEMBL3942143 0.85 PRKCA (0.47) NR1I2PRKCAMMP12KCNH2CYP3A4
SCHEMBL13940294 0.85 PRKCA (0.42) NR1I2PRKCAMMP12CYP3A4TP53
SCHEMBL13936830 0.83 ALDH1A1 (0.44) NR1I2PRKCAMMP12KCNH2CYP3A4
SCHEMBL3944241 0.83 PRKCA (0.47) NR1I2PRKCAMMP12KCNH2CYP3A4
SCHEMBL14009657 0.82 KCNH2 (0.44) NR1I2PRKCAMMP12KCNH2CYP3A4

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-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

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 168/4885PRKCA 3560/4885MMP12 4163/4885

“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.