SCHEMBL4823015

SCHEMBL4823015

O=C(NS(=O)(=O)N1CCOCC1)c1ccc2c(C3CCCCC3)c(Br)[nH]c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 6/20 0.43
NPC1 O15118 2/20 0.41
RAB9A P51151 1/20 0.41
GAA P10253 3/20 0.41
NR1I2 O75469 1/20 0.40
KMT2A Q03164 1/20 0.40
KDM4E B2RXH2 3/20 0.40
SCN5A Q14524 1/20 0.39
PARP1 P09874 1/20 0.38
NPSR1 Q6W5P4 2/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
USP2 O75604 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL4829833 0.83 SCN9A (0.53) SCN9ASCN5A
SCHEMBL13653826 0.82 SCN9A (0.40) SCN9AGAAKMT2AKDM4ESCN5A
SCHEMBL50553 0.79 NR1I2 (0.44) SCN9ANR1I2SCN5A
SCHEMBL14435397 0.75 CCNA2 (0.38) SCN9ARAB9AGAAKMT2AKDM4E
SCHEMBL50743 0.74 PARP1 (0.46) RAB9AKMT2AKDM4EPARP1ALDH1A1
SCHEMBL13286195 0.73 KIF11 (0.41) NPC1RAB9AGAAKMT2AKDM4E
SCHEMBL18661421 0.73 CHEK2 (0.42) RAB9AGAAKMT2AKDM4EPARP1
SCHEMBL27764481 0.73 SCN9A (0.36) SCN9AGAANR1I2KMT2AKDM4E
SCHEMBL27743686 0.73 SCN9A (0.36) SCN9AGAANR1I2KDM4ESCN5A
SCHEMBL50237 0.73 PARP1 (0.50) RAB9AGAAKMT2AKDM4EPARP1

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 7 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-7348425-B2 Inhibitors of HCV replication BRISTOL-MYERS SQUIBB COMPANY (US) 2008-03-25 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
US-20060166964-A1 Inhibitors of HCV replication BRISTOL-MYERS SQUIBB COMPANY 2006-07-27 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-20070078122-A1 Indolobenzazepine HCV NS5B inhibitors HTR3C, IDO1, HTR3B SCN9A 362/4885NPC1 114/4885RAB9A 998/4885
US-20060166964-A1 Inhibitors of HCV replication EIF2AK2, HCCS, IDO1 SCN9A 4635/4885NPC1 731/4885RAB9A 2098/4885

“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.