SCHEMBL51354

SCHEMBL51354

O=C(O)C1=Cc2ccccc2-c2cc3ccccc3n2C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.38
MCL1 Q07820 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ALDH1A1 P00352 4/20 0.36
TSHR P16473 1/20 0.36
KMT2A Q03164 3/20 0.35
KDM4E B2RXH2 2/20 0.35
HPGD P15428 2/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
RECQL P46063 1/20 0.35
HSD17B10 Q99714 1/20 0.35
HTR1A P08908 1/20 0.34
CCR2 P41597 1/20 0.34
SIGMAR1 Q99720 3/20 0.33
CA12 O43570 1/20 0.33
CA9 Q16790 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
PARP1 P09874 1/20 0.32

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
SCHEMBL3941964 0.87 RPS6KA3 (0.43) CA12CA9
SCHEMBL253105 0.86 HTR1A (0.34) DAOMCL1L3MBTL1ALDH1A1TSHR
SCHEMBL3946964 0.81 RPS6KA2 (0.41) ALDH1A1
SCHEMBL841220 0.79 ALDH1A1 (0.42) L3MBTL1ALDH1A1HTR1ASIGMAR1
SCHEMBL3938873 0.79 RPS6KA3 (0.45) L3MBTL1ALDH1A1KMT2AKDM4EMEN1
SCHEMBL2421457 0.73 KDM4E (0.49) ALDH1A1TSHRKMT2AKDM4EHPGD
SCHEMBL4831504 0.71 RPS6KA3 (0.40)
SCHEMBL51096 0.68 MCL1 (0.38) DAOMCL1L3MBTL1ALDH1A1TSHR
SCHEMBL641455 0.68 KMT2A (0.37) ALDH1A1TSHRKMT2AKDM4EHPGD
SCHEMBL270972 0.65 POLB (0.40) ALDH1A1TSHRKMT2AKDM4EHPGD

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 105 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2099804-B1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL MYERS SQUIBB CO (US) 2017-03-22 EP disclosed
EP-2518073-B1 Compounds for the treatment of Hepatitis C BRISTOL MYERS SQUIBB CO (US) 2015-08-26 EP disclosed
EP-2183252-B1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL MYERS SQUIBB CO (US) 2015-01-14 EP disclosed
EP-2118109-B1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL MYERS SQUIBB CO (US) 2014-11-26 EP disclosed
EP-2268643-B1 DIOXOLANE AND DIOXOLANONE FUSED INDOLOBENZADIAZEPINE HCV NS5B INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2014-08-06 EP disclosed
US-20140186299-A1 Cyclopropyl Fused Indolobenzazepine HCV NS5B Inhibitors BRISTOL MYERS SQUIBB CO (US) 2014-07-03 US disclosed
US-20140045816-A1 Cyclopropyl Fused Indolobenzazepine HCV NS5B Inhibitors BRISTOL MYERS SQUIBB CO (US) 2014-02-13 US disclosed
EP-2114947-B1 INDOLOBENZAZEPINE DERIVATIVES FOR THE TREATMENT OF HEPATITIS C BRISTOL MYERS SQUIBB CO (US) 2014-01-08 EP disclosed
EP-2276764-B1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL MYERS SQUIBB CO (US) 2013-07-24 EP disclosed
US-20130171098-A1 Cyclopropyl Fused Indolobenzazepine HCV NS5B Inhibitors BRISTOL MYERS SQUIBB CO (US) 2013-07-04 US disclosed
US-20070184024-A1 Cyclopropyl Fused Indolobenzazepine HCV NS5B Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-08-09 US disclosed
EP-1776368-A1 INHIBITORS OF HCV REPLICATION Bristol-Myers Squibb Company (US) 2007-04-25 EP 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-2007033032-A1 CYCLOPROPYL FUSED INDOLOBENZAZEPINE HCV NS5B INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-03-22 WO disclosed
US-20070060565-A1 Cyclopropyl fused indolobenzazepine HCV NS5B inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-03-15 US disclosed
US-7153848-B2 Inhibitors of HCV replication BRISTOL-MYERS SQUIBB COMPANY (US) 2006-12-26 US disclosed
US-20060166964-A1 Inhibitors of HCV replication BRISTOL-MYERS SQUIBB COMPANY 2006-07-27 US disclosed
US-20060046983-A1 Inhibitors of HCV replication BRISTOL-MYERS SQUIBB COMPANY 2006-03-02 US disclosed
WO-2006020082-A1 INHIBITORS OF HCV REPLICATION BRISTOL-MYERS SQUIBB COMPANY (US) 2006-02-23 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 (8 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-20140045816-A1 Cyclopropyl Fused Indolobenzazepine HCV NS5B Inhibitors HAVCR2, ZC3HAV1, HCCS DAO 2438/4885MCL1 570/4885L3MBTL1 4611/4885
US-20070184024-A1 Cyclopropyl Fused Indolobenzazepine HCV NS5B Inhibitors ZC3HAV1, CYP3A5, SLC10A1 DAO 2838/4885MCL1 697/4885L3MBTL1 4703/4885
US-20070078122-A1 Indolobenzazepine HCV NS5B inhibitors HTR3C, IDO1, HTR3B DAO 1237/4885MCL1 2006/4885L3MBTL1 4524/4885
US-20070060565-A1 Cyclopropyl fused indolobenzazepine HCV NS5B inhibitors ZC3HAV1, CYP3A5, SLC10A1 DAO 2838/4885MCL1 697/4885L3MBTL1 4703/4885
US-20140186299-A1 Cyclopropyl Fused Indolobenzazepine HCV NS5B Inhibitors HAVCR2, ZC3HAV1, HCCS DAO 2438/4885MCL1 570/4885L3MBTL1 4611/4885
US-20060166964-A1 Inhibitors of HCV replication EIF2AK2, HCCS, IDO1 DAO 514/4885MCL1 628/4885L3MBTL1 3633/4885
US-20130171098-A1 Cyclopropyl Fused Indolobenzazepine HCV NS5B Inhibitors HAVCR2, ZC3HAV1, HCCS DAO 2438/4885MCL1 570/4885L3MBTL1 4611/4885
US-20060046983-A1 Inhibitors of HCV replication EIF2AK2, HCCS, IDO1 DAO 514/4885MCL1 628/4885L3MBTL1 3633/4885

“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.