SCHEMBL51096

SCHEMBL51096

CC1C(C(=O)O)=Cc2ccccc2-c2cc3ccccc3n21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.38
ALDH1A1 P00352 5/20 0.37
KMT2A Q03164 3/20 0.37
KDM4E B2RXH2 2/20 0.37
HPGD P15428 2/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
RECQL P46063 1/20 0.37
HSD17B10 Q99714 1/20 0.36
DAO P14920 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
TSHR P16473 1/20 0.35
CA12 O43570 1/20 0.34
CA9 Q16790 1/20 0.34
CCR2 P41597 1/20 0.33
MTNR1A P48039 1/20 0.32
MTNR1B P49286 1/20 0.32
CYP1A2 P05177 1/20 0.32
POLB P06746 1/20 0.32
RPS6KA2 Q15349 1/20 0.31

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
SCHEMBL51354 0.68 DAO (0.38) MCL1ALDH1A1KMT2AKDM4EHPGD
SCHEMBL841220 0.62 ALDH1A1 (0.42) ALDH1A1L3MBTL1
SCHEMBL253105 0.62 HTR1A (0.34) MCL1ALDH1A1KMT2AKDM4EHPGD
SCHEMBL8680430 0.60 MAPT (0.42) ALDH1A1KMT2AKDM4EMEN1MAPT
SCHEMBL29323795 0.60 MAOB (0.37) ALDH1A1KMT2AKDM4EHPGDMEN1
SCHEMBL50870 0.60 POLB (0.39) ALDH1A1KMT2AKDM4EHPGDHSD17B10
SCHEMBL3312303 0.60 BRD4 (0.39) ALDH1A1KDM4EHPGDDAOTSHR
SCHEMBL3236139 0.59 DAO (0.39) MCL1ALDH1A1KMT2AKDM4EHPGD
SCHEMBL30194405 0.58 DAO (0.57) MCL1ALDH1A1DAOTSHRCCR2
SCHEMBL30995232 0.57 ALDH1A1 (0.55) MCL1ALDH1A1KMT2AMEN1DAO

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 68 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-2118109-B1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL MYERS SQUIBB CO (US) 2014-11-26 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
US-20130171098-A1 Cyclopropyl Fused Indolobenzazepine HCV NS5B Inhibitors BRISTOL MYERS SQUIBB CO (US) 2013-07-04 US disclosed
EP-2401280-B1 Cyclopropyl fused indolobenzazepine hcv ns5b inhibitors BRISTOL MYERS SQUIBB CO (US) 2013-05-01 EP disclosed
EP-2118108-B1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL MYERS SQUIBB CO (US) 2012-11-14 EP disclosed
EP-2518073-A1 Compounds for the treatment of Hepatitis C Bristol-Myers Squibb Company (US) 2012-10-31 EP disclosed
US-20080188458-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2008-08-07 US disclosed
WO-2008089027-A1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL-MYERS SQUIBB COMPANY (US) 2008-07-24 WO disclosed
US-20080171015-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2008-07-17 US disclosed
US-20080146537-A1 3,8-Diazabicyclo[3.2.1]octane-3-carboxylic acid, 8-[[8-cyclohexyl-5-[[[(dimethylamino)sulfonyl]amino]carbonyl]-1,12b-dihydro-11-methoxycycloprop[d]indolo[2,1-a][2]benzazepin-1a(2H)-yl]carbonyl]-, phenylmethyl ester; RNA polymerase inhibitor; liver disease, including cirrhosis and hepatocellular carcinoma BRISTOL-MYERS SQUIBB COMPANY 2008-06-19 US disclosed
WO-2007140109-A1 CYCLOPROPYL FUSED INDOLOBENZAZEPINE HCV NS5B INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-12-06 WO disclosed
WO-2007140200-A2 CYCLOPROPYL FUSED INDOLOBENZAZEPINE HCV NS5B INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-12-06 WO disclosed
WO-2007136982-A1 CYCLOPROPYL FUSED INDOLOBENZAZEPINE HCV NS5B INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-11-29 WO disclosed
US-20070275930-A1 Cyclopropyl Fused Indolobenzazepine HCV NS5B Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-11-29 US disclosed
US-20070270406-A1 Cyclopropyl Fused Indolobenzazepine HCV NS5B Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-11-22 US disclosed
US-20070270405-A1 Cyclopropyl Fused Indolobenzazepine HCV NS5B Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-11-22 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 (9 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-20070270405-A1 Cyclopropyl Fused Indolobenzazepine HCV NS5B Inhibitors HAVCR2, ZC3HAV1, HCCS MCL1 570/4885ALDH1A1 1119/4885KMT2A 3251/4885
US-20080188458-A1 Compounds for the Treatment of Hepatitis C HAVCR2, HCCS, SLC10A1 MCL1 900/4885ALDH1A1 163/4885KMT2A 4456/4885
US-20140045816-A1 Cyclopropyl Fused Indolobenzazepine HCV NS5B Inhibitors HAVCR2, ZC3HAV1, HCCS MCL1 570/4885ALDH1A1 1119/4885KMT2A 3251/4885
US-20070275930-A1 Cyclopropyl Fused Indolobenzazepine HCV NS5B Inhibitors HAVCR2, ZC3HAV1, HCCS MCL1 570/4885ALDH1A1 1119/4885KMT2A 3251/4885
US-20070270406-A1 Cyclopropyl Fused Indolobenzazepine HCV NS5B Inhibitors HAVCR2, ZC3HAV1, HCCS MCL1 570/4885ALDH1A1 1119/4885KMT2A 3251/4885
US-20080146537-A1 3,8-Diazabicyclo[3.2.1]octane-3-carboxylic acid, 8-[[8-cyclohexyl-5-[[[(dimethylamino)sulfonyl]amino]carbonyl]-1,12b-dihydro-11-methoxycycloprop[d]indolo[2,1-a][2]benzazepin-1a(2H)-yl]carbonyl]-, phenylmethyl ester; RNA polymerase inhibitor; liver disease, including cirrhosis and hepatocellular carcinoma ZC3HAV1, ODC1, MED1 MCL1 2228/4885ALDH1A1 89/4885KMT2A 1472/4885
US-20140186299-A1 Cyclopropyl Fused Indolobenzazepine HCV NS5B Inhibitors HAVCR2, ZC3HAV1, HCCS MCL1 570/4885ALDH1A1 1119/4885KMT2A 3251/4885
US-20130171098-A1 Cyclopropyl Fused Indolobenzazepine HCV NS5B Inhibitors HAVCR2, ZC3HAV1, HCCS MCL1 570/4885ALDH1A1 1119/4885KMT2A 3251/4885
US-20080171015-A1 Compounds for the Treatment of Hepatitis C HAVCR2, HCCS, SLC10A1 MCL1 900/4885ALDH1A1 163/4885KMT2A 4456/4885

“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.