SCHEMBL5066580

SCHEMBL5066580

NC(=O)[CH]Cc1c(C(N)=O)[nH]c2ccc(O)cc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.44
RAD52 P43351 1/20 0.44
BLM P54132 1/20 0.44
TDP1 Q9NUW8 2/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
HTR1D P28221 1/20 0.43
MAPK1 P28482 1/20 0.43
HTR7 P34969 1/20 0.43
HTR3A P46098 1/20 0.43
HTR6 P50406 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MAP2 P11137 4/20 0.38
GAA P10253 3/20 0.37
SIRT1 Q96EB6 1/20 0.37
MEN1 O00255 1/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL5117028 0.86 NGFR (0.40) NPSR1RAD52BLMCYP1A2CYP2C9
SCHEMBL5121688 0.83 SPR (0.39) NPSR1RAD52BLMTDP1CYP1A2
SCHEMBL5122341 0.82 BLM (0.38) NPSR1RAD52BLMTDP1CYP1A2
SCHEMBL2983431 0.81 MAP2 (0.51) HTR6MAP2GAAKDM4E
SCHEMBL7079051 0.80 SPR (0.37) NPSR1RAD52BLMTDP1CYP1A2
SCHEMBL5773017 0.80 KDM4E (0.34) NPSR1RAD52BLMHSD17B10MAP2
SCHEMBL4292563 0.80 HTR6 (0.62) NPSR1RAD52BLMTDP1CYP1A2
SCHEMBL6783853 0.79 KDM4E (0.40) NPSR1RAD52BLMTDP1CYP1A2
SCHEMBL5108567 0.75 RAD52 (0.36) NPSR1RAD52BLMTDP1CYP1A2
SCHEMBL5109529 0.75 MAPK1 (0.36) MAPK1MAP2

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080247992-A1 NITROGEN-CONTAINING HETEROARYL DERIVATIVES GENELABS TECHNOLOGIES, INC. 2008-10-09 US claimed
US-20050154040-A1 Nitrogen-containing heteroaryl derivatives SMITHKLINE BEECHAM CORPORATION 2005-07-14 US claimed
US-7439258-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM (CANADA) LTD (CA) 2008-10-21 US disclosed
US-20080247992-A1 NITROGEN-CONTAINING HETEROARYL DERIVATIVES GENELABS TECHNOLOGIES, INC. 2008-10-09 US disclosed
US-7304085-B2 Nitrogen-containing heteroaryl derivatives GENELABS TECHNOLOGIES, INC. (US) 2007-12-04 US disclosed
EP-1301487-B1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM CA LTD (CA) 2006-11-22 EP disclosed
EP-1631554-A2 NITROGEN-CONTAINING HETEROARYL DERIVATIVES FOR THE TREATMENT OF HCV-INFECTION GENELABS TECHNOLOGIES, INC. (US) 2006-03-08 EP disclosed
US-20050154040-A1 Nitrogen-containing heteroaryl derivatives SMITHKLINE BEECHAM CORPORATION 2005-07-14 US disclosed
WO-2004108687-A2 NITROGEN-CONTAINING HETEROARYL DERIVATIVES FOR THE TREATMENT OF HCV-INFECTION GENELABS TECHNOLOGIES, INC. (US) 2004-12-16 WO disclosed
US-20040224955-A1 Viral polymerase inhibitors BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2004-11-11 US disclosed
US-6794404-B2 BENZIMIDAZOLE DERIVATIVES BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2004-09-21 US disclosed
US-20030232816-A1 Viral polymerase inhibitors BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2003-12-18 US disclosed
EP-1301487-A2 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2003-04-16 EP disclosed
US-6479508-B1 INHIBITOR OF RNA DEPENDENT RNA POLYMERASE ACTIVITY OF THE ENZYME NS5B ENCODED BY HEPATITIS C VIRUS FOR TREATMENT AND PREVENTION OF HEPATITIS C INFECTIONS BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2002-11-12 US disclosed
US-6448281-B1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION; TREATMENT OF HEPATITIS C BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2002-09-10 US disclosed
US-20020065418-A1 Inhibitors of hepatitis C virus replication; treatment of hepatitis C BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2002-05-30 US disclosed
WO-2002004425-A2 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2002-01-17 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 (5 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-20080247992-A1 NITROGEN-CONTAINING HETEROARYL DERIVATIVES EIF2AK2, MAVS, NSUN3 NPSR1 1985/4885RAD52 2122/4885BLM 438/4885
US-20030232816-A1 Viral polymerase inhibitors POLR2H, POLR2E, POLM NPSR1 1532/4885RAD52 2371/4885BLM 1873/4885
US-20020065418-A1 Inhibitors of hepatitis C virus replication; treatment of hepatitis C HAVCR2, HCCS, ZC3HAV1 NPSR1 959/4885RAD52 2672/4885BLM 3226/4885
US-20050154040-A1 Nitrogen-containing heteroaryl derivatives EIF2AK2, MAVS, NSUN3 NPSR1 1985/4885RAD52 2122/4885BLM 438/4885
US-20040224955-A1 Viral polymerase inhibitors POLR2H, POLR2E, POLM NPSR1 1532/4885RAD52 2371/4885BLM 1873/4885

“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.