SCHEMBL5115727

SCHEMBL5115727

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

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRA P18433 1/20 0.67
CYP2C19 P33261 1/20 0.64
NQO2 P16083 1/20 0.56
SCN9A Q15858 2/20 0.55
MAPT P10636 3/20 0.53
KDM4E B2RXH2 2/20 0.53
LMNA P02545 2/20 0.53
TSHR P16473 2/20 0.53
BLM P54132 2/20 0.53
PMP22 Q01453 2/20 0.53
KMT2A Q03164 2/20 0.53
ALDH1A1 P00352 1/20 0.53
CYP3A4 P08684 1/20 0.53
HTR1A P08908 1/20 0.53
ADORA3 P0DMS8 1/20 0.53
ALOX15 P16050 1/20 0.53
NFKB1 P19838 1/20 0.53
HTR2A P28223 1/20 0.53
HTR2C P28335 1/20 0.53
SLC6A4 P31645 1/20 0.53

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
SCHEMBL5115733 1.00 PTPRA (0.67) PTPRACYP2C19NQO2SCN9AMAPT
SCHEMBL1580112 0.90 PTPRA (0.82) PTPRACYP2C19NQO2MAPTKDM4E
SCHEMBL1580111 0.90 PTPRA (0.82) PTPRACYP2C19NQO2MAPTKDM4E
SCHEMBL5773295 0.86 PTPRA (0.61) PTPRACYP2C19NQO2SCN9AMAPT
SCHEMBL4113355 0.86 PTPRA (0.61) PTPRACYP2C19NQO2SCN9AMAPT
SCHEMBL27717137 0.83 HTR2A (0.60) PTPRACYP2C19NQO2BLMHTR1A
Gamma-Aminobutyric Acid SCHEMBL3789958 0.81 PTPRA (0.68) PTPRACYP2C19NQO2MAPTKDM4E
SCHEMBL5066582 0.80 HTR2C (0.80) CYP2C19SCN9AMAPTKDM4ELMNA
SCHEMBL5110752 0.80 HTR2C (0.80) CYP2C19SCN9AMAPTKDM4ELMNA
SCHEMBL5117033 0.80 SCN9A (0.60) PTPRACYP2C19SCN9AMAPTKDM4E

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 PTPRA 2745/4885CYP2C19 2975/4885NQO2 570/4885
US-20020065418-A1 Inhibitors of hepatitis C virus replication; treatment of hepatitis C HAVCR2, HCCS, ZC3HAV1 PTPRA 2832/4885CYP2C19 2693/4885NQO2 810/4885
US-20040224955-A1 Viral polymerase inhibitors POLR2H, POLR2E, POLM PTPRA 2745/4885CYP2C19 2975/4885NQO2 570/4885

“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.