SCHEMBL5117583

SCHEMBL5117583

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.44
KDM4E B2RXH2 4/20 0.38
PRNP P04156 1/20 0.38
MTNR1A P48039 2/20 0.36
MTNR1B P49286 2/20 0.36
KMT2A Q03164 2/20 0.36
P2RY12 Q9H244 2/20 0.36
ALDH1A1 P00352 3/20 0.36
HPGD P15428 3/20 0.36
NQO2 P16083 1/20 0.35
MAP2 P11137 2/20 0.35
ESR1 P03372 1/20 0.35
TERT O14746 1/20 0.35
ALOX15 P16050 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MEN1 O00255 1/20 0.34
TSHR P16473 1/20 0.34
ERCC1 P07992 1/20 0.34
DNASE1 P24855 1/20 0.34
FEN1 P39748 1/20 0.34

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 0.82 NGFR (0.40) KDM4EPRNPALDH1A1HPGDMAP2
SCHEMBL5066580 0.82 NPSR1 (0.44) KDM4EPRNPKMT2AMAP2HSD17B10
SCHEMBL5109529 0.81 MAPK1 (0.36) KIF11MAP2
SCHEMBL5773017 0.81 KDM4E (0.34) KDM4EPRNPP2RY12ALDH1A1HPGD
SCHEMBL2983431 0.77 MAP2 (0.51) KDM4EALDH1A1HPGDMAP2
SCHEMBL5173581 0.75 KMT2A (0.43) KDM4EMTNR1AMTNR1BKMT2AP2RY12
SCHEMBL1346597 0.72 KDM4E (0.44) KIF11KDM4EPRNPKMT2AALDH1A1
Hydrochloric Acid SCHEMBL1343705 0.71 KDM4E (0.43) KIF11KDM4EPRNPKMT2AALDH1A1
SCHEMBL5121688 0.69 SPR (0.39) KDM4EKMT2AALDH1A1HPGDMAP2
SCHEMBL5122341 0.68 BLM (0.38) KDM4EKMT2AALDH1A1MAP2ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7439258-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM (CANADA) LTD (CA) 2008-10-21 US disclosed
EP-1301487-B1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM CA LTD (CA) 2006-11-22 EP 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 (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-20030232816-A1 Viral polymerase inhibitors POLR2H, POLR2E, POLM KIF11 3898/4885KDM4E 2381/4885PRNP 235/4885
US-20020065418-A1 Inhibitors of hepatitis C virus replication; treatment of hepatitis C HAVCR2, HCCS, ZC3HAV1 KIF11 4659/4885KDM4E 3436/4885PRNP 1633/4885
US-20040224955-A1 Viral polymerase inhibitors POLR2H, POLR2E, POLM KIF11 3898/4885KDM4E 2381/4885PRNP 235/4885

“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.