SCHEMBL873205

SCHEMBL873205

COc1ccc2nc(Br)c(O)cc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.49
KDM4E B2RXH2 5/20 0.48
NQO1 P15559 1/20 0.46
TRIM24 O15164 1/20 0.46
TYR P14679 1/20 0.46
TRIM33 Q9UPN9 1/20 0.46
ALDH1A1 P00352 5/20 0.45
HPGD P15428 3/20 0.45
F2 P00734 1/20 0.45
GLA P06280 1/20 0.45
CYP1A1 P04798 2/20 0.45
CYP1A2 P05177 2/20 0.45
CYP1B1 Q16678 2/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
POLB P06746 2/20 0.44
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
LMNA P02545 1/20 0.44
NQO2 P16083 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL6086827 0.82 NCF1 (0.51) NCF1KDM4ENQO1TRIM24TYR
SCHEMBL20310050 0.82 PDE3B (0.48) NCF1KDM4EALDH1A1HPGDCYP1A2
SCHEMBL8006191 0.81 NCF1 (0.50) NCF1KDM4ENQO1TRIM24TYR
SCHEMBL874421 0.80 NCF1 (0.46) NCF1KDM4ENQO1TRIM24TYR
SCHEMBL28247823 0.78 KDM4E (0.61) KDM4EALDH1A1HPGDF2GLA
SCHEMBL31414248 0.77 KDM4E (0.63) NCF1KDM4ENQO1ALDH1A1HPGD
SCHEMBL6788980 0.77 NCF1 (0.46) NCF1KDM4ENQO1ALDH1A1HPGD
SCHEMBL28284676 0.77 CYP1A2 (0.47) KDM4EALDH1A1HPGDCYP1A2SMN1; SMN2
SCHEMBL6567169 0.76 ALDH1A1 (0.52) NCF1KDM4ENQO1TRIM24TYR
SCHEMBL6535849 0.76 KDM4E (0.51) NCF1KDM4ETRIM24TYRTRIM33

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2086982-B1 HCV NS3 PROTEASE INHIBITORS MERCK SHARP & DOHME (US) 2018-08-29 EP disclosed
EP-2268285-B1 THERAPEUTIC COMPOUNDS MERCK SHARP & DOHME (US) 2018-06-27 EP disclosed
EP-2268285-B1 THERAPEUTIC COMPOUNDS MERCK SHARP & DOHME (US) 2018-06-27 EP disclosed
US-9738661-B2 HCV NS3 protease inhibitors MERCK SHARP & DOHME CORP. (US) 2017-08-22 US disclosed
US-9738661-B2 HCV NS3 protease inhibitors MERCK SHARP & DOHME CORP. (US) 2017-08-22 US disclosed
US-9738661-B2 HCV NS3 protease inhibitors MERCK SHARP & DOHME CORP. (US) 2017-08-22 US disclosed
US-20150266897-A1 HCV NS3 Protease Inhibitors MSD ITALIA S.R.L. (IT) 2015-09-24 US disclosed
US-20150266897-A1 HCV NS3 Protease Inhibitors MSD ITALIA S.R.L. (IT) 2015-09-24 US disclosed
US-20150266897-A1 HCV NS3 Protease Inhibitors MSD ITALIA S.R.L. (IT) 2015-09-24 US disclosed
US-8591878-B2 Therapeutic compounds MERCK SHARP & DOHME CORP. (US) 2013-11-26 US disclosed
US-20110002884-A1 THERAPEUTIC COMPOUNDS MERCK SHARP & DOHME LLC 2011-01-06 US disclosed
US-20110002884-A1 THERAPEUTIC COMPOUNDS MERCK SHARP & DOHME LLC 2011-01-06 US disclosed
EP-2268285-A1 THERAPEUTIC COMPOUNDS Merck Sharp & Dohme Corp. (US) 2011-01-05 EP disclosed
US-20100099695-A1 HCV NS3 Protease Inhibitors MSD ITALIA S.R.L. (IT) 2010-04-22 US disclosed
US-20100099695-A1 HCV NS3 Protease Inhibitors MSD ITALIA S.R.L. (IT) 2010-04-22 US disclosed
US-20100099695-A1 HCV NS3 Protease Inhibitors MSD ITALIA S.R.L. (IT) 2010-04-22 US disclosed
WO-2009108507-A1 THERAPEUTIC COMPOUNDS MERCK & CO., INC. (US) 2009-09-03 WO disclosed
EP-2086982-A1 HCV NS3 PROTEASE INHIBITORS Merck & Co., Inc. (US) 2009-08-12 EP disclosed
WO-2008057209-A1 HCV NS3 PROTEASE INHIBITORS MERCK & CO., INC. (US) 2008-05-15 WO disclosed
WO-2008057209-A1 HCV NS3 PROTEASE INHIBITORS MERCK & CO., INC. (US) 2008-05-15 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 (3 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-20100099695-A1 HCV NS3 Protease Inhibitors HAVCR2, GTF3C3, CTSC NCF1 1573/4885KDM4E 2747/4885NQO1 421/4885
US-20150266897-A1 HCV NS3 Protease Inhibitors HAVCR2, GTF3C3, CTSC NCF1 1573/4885KDM4E 2747/4885NQO1 421/4885
US-20110002884-A1 THERAPEUTIC COMPOUNDS RRP1B, ZC3HAV1, RNASE1 NCF1 1242/4885KDM4E 2417/4885NQO1 292/4885

“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.