SCHEMBL1523074

SCHEMBL1523074

O=c1[nH]c2cc(-c3ccccc3)sc2c(=O)o1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERCC5 P28715 1/20 0.54
FEN1 P39748 1/20 0.54
KCNH2 Q12809 1/20 0.45
F2 P00734 1/20 0.45
CFD P00746 1/20 0.45
PDGFRA P16234 1/20 0.44
MAPK8 P45983 1/20 0.44
CDK5 Q00535 1/20 0.44
CLK4 Q9HAZ1 1/20 0.44
OGT O15294 1/20 0.43
CDC7 O00311 1/20 0.43
DBF4 Q9UBU7 1/20 0.43
RAB9A P51151 5/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
NPC1 O15118 4/20 0.42
MAPT P10636 3/20 0.42
PTP4A3 O75365 3/20 0.41
PTP4A2 Q12974 2/20 0.41
PTP4A1 Q93096 2/20 0.41
CYP1A1 P04798 1/20 0.40

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
SCHEMBL14498482 0.71 NOS1 (0.41) ERCC5FEN1F2CFDPDGFRA
SCHEMBL1884360 0.70 FEN1 (1.00) ERCC5FEN1KCNH2RAB9ASMN1; SMN2
SCHEMBL3548193 0.69 ERCC5 (0.53) ERCC5FEN1F2CFDPDGFRA
SCHEMBL6004269 0.68 ERCC5 (0.49) ERCC5FEN1KCNH2CDC7DBF4
SCHEMBL21442180 0.68 ERCC5 (0.49) ERCC5FEN1KCNH2CDC7DBF4
SCHEMBL21658177 0.68 F2 (0.61) F2CFDPDGFRAMAPK8CDK5
SCHEMBL17318014 0.68 ERCC5 (0.49) ERCC5FEN1KCNH2CDC7DBF4
SCHEMBL9098195 0.67 ERCC5 (0.48) ERCC5FEN1KCNH2CDC7DBF4
SCHEMBL17260655 0.67 PDE3B (0.71) OGTCDC7DBF4MAPTALDH1A1
SCHEMBL14403068 0.66 F2 (0.34) ERCC5FEN1F2CFDNOS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130123242-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS VERTEX PHARMACEUTICALS (CANADA) INCORPORATED (CA) 2013-05-16 US disclosed
US-20130123242-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS VERTEX PHARMACEUTICALS (CANADA) INCORPORATED (CA) 2013-05-16 US disclosed
US-8329924-B2 Compounds and methods for the treatment or prevention of Flavivirus infections VERTEX PHARMACEUTICALS (CANADA) INCORPORATED (CA) 2012-12-11 US disclosed
US-8329924-B2 Compounds and methods for the treatment or prevention of Flavivirus infections VERTEX PHARMACEUTICALS (CANADA) INCORPORATED (CA) 2012-12-11 US disclosed
EP-2363396-A1 Thiophene derivatives as antiviral agents for flavivirus infection Virochem Pharma Inc. (CA) 2011-09-07 EP disclosed
EP-2361913-A1 Anti-infective agents Abbott Laboratories (US) 2011-08-31 EP disclosed
US-20110200553-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-08-18 US disclosed
US-20110200553-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-08-18 US disclosed
US-7985769-B2 Compounds and methods for the treatment or prevention of Flavivirus infections VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-26 US disclosed
US-7985769-B2 Compounds and methods for the treatment or prevention of Flavivirus infections VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-26 US disclosed
EP-2206709-A2 Thiophene derivatives as antiviral agents for flavivirus infection Virochem Pharma Inc. (CA) 2010-07-14 EP disclosed
EP-1401825-B1 THIOPHENE DERIVATIVES AS ANTIVIRAL AGENTS FOR FLAVIVIRUS INFECTION VIROCHEM PHARMA INC (CA) 2009-08-05 EP disclosed
US-20060142347-A1 Compounds and methods for the treatment or prevention of Flavivirus infections VERTEX PHARMACEUTICALS (CANADA) INCORPORATED (CA) 2006-06-29 US disclosed
US-6881741-B2 Compounds and methods for the treatment or prevention of Flavivirus infections VIROCHEM PHARMA INC. (CA) 2005-04-19 US disclosed
US-20050075331-A1 Anti-infective agents ABBOTT LABORATORIES 2005-04-07 US disclosed
US-20040167123-A1 Anti-infective agents ABBVIE INC. 2004-08-26 US disclosed
US-20040162285-A1 Anti-infective agents ABBOTT LABORATORIES 2004-08-19 US disclosed
US-20040116509-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS SHIRE BIOCHEM INC. (CA) 2004-06-17 US disclosed
US-20040097492-A1 Anti-infective agents ABBOTT LABORATORIES 2004-05-20 US disclosed
US-20040087577-A1 Anti-infective agents ABBOTT LABORATORIES 2004-05-06 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 (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-20040097492-A1 Anti-infective agents POLR1C, RPL5, POLB ERCC5 2973/4885FEN1 1213/4885KCNH2 4457/4885
US-20110200553-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS HAVCR2, ZC3HAV1, MAVS ERCC5 4492/4885FEN1 2644/4885KCNH2 2669/4885
US-20130123242-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS HAVCR2, ZC3HAV1, MAVS ERCC5 4492/4885FEN1 2644/4885KCNH2 2669/4885
US-20040162285-A1 Anti-infective agents POLR1C, RPL5, POLB ERCC5 2973/4885FEN1 1213/4885KCNH2 4457/4885
US-20040167123-A1 Anti-infective agents SERPINB1, CYP51A1, ZC3HAV1 ERCC5 3536/4885FEN1 727/4885KCNH2 4531/4885
US-20060142347-A1 Compounds and methods for the treatment or prevention of Flavivirus infections HAVCR2, ZC3HAV1, MAVS ERCC5 4492/4885FEN1 2644/4885KCNH2 2669/4885
US-20050075331-A1 Anti-infective agents RPL35, POLI, POLRMT ERCC5 3596/4885FEN1 1845/4885KCNH2 4631/4885
US-20040087577-A1 Anti-infective agents POLR1C, RPL5, POLB ERCC5 2973/4885FEN1 1213/4885KCNH2 4457/4885

“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.