SCHEMBL5117028

SCHEMBL5117028

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NGFR P08138 1/20 0.40
CA12 O43570 1/20 0.38
CA9 Q16790 1/20 0.38
MAP2 P11137 4/20 0.38
PARP1 P09874 1/20 0.37
KDM4E B2RXH2 2/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TP53 P04637 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP2C19 P33261 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
PRNP P04156 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
PPARG P37231 1/20 0.35
HIF1A Q16665 1/20 0.35

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
SCHEMBL5066580 0.86 NPSR1 (0.44) MAP2KDM4EGAACYP2C19NPSR1
SCHEMBL5117583 0.82 KIF11 (0.44) MAP2KDM4EALDH1A1PRNPHPGD
SCHEMBL2983431 0.81 MAP2 (0.51) MAP2KDM4EALDH1A1GAAMAPT
SCHEMBL5109529 0.75 MAPK1 (0.36) MAP2SMN1; SMN2CA1CA2
SCHEMBL5773017 0.75 KDM4E (0.34) MAP2KDM4EALDH1A1NPSR1PRNP
SCHEMBL4614532 0.70 MAP2 (0.52) MAP2KDM4E
SCHEMBL28273162 0.70 KDM4E (0.51) NGFRCA12CA9KDM4EALDH1A1
SCHEMBL5122341 0.70 BLM (0.38) MAP2KDM4EALDH1A1GAAMAPT
SCHEMBL1155981 0.69 NGFR (0.53) NGFRCA12CA9MAP2PARP1
SCHEMBL4292563 0.69 HTR6 (0.62) MAP2KDM4EALDH1A1GAAMAPT

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 8 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
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

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 NGFR 1897/4885CA12 3997/4885CA9 2346/4885
US-20020065418-A1 Inhibitors of hepatitis C virus replication; treatment of hepatitis C HAVCR2, HCCS, ZC3HAV1 NGFR 1248/4885CA12 4064/4885CA9 3708/4885
US-20040224955-A1 Viral polymerase inhibitors POLR2H, POLR2E, POLM NGFR 1897/4885CA12 3997/4885CA9 2346/4885

“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.