SCHEMBL5773295

SCHEMBL5773295

COC(=O)[C@@H](N)Cc1c[nH]c2ccc([N+](=O)[O-])cc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRA P18433 1/20 0.61
CYP2C19 P33261 1/20 0.59
NQO2 P16083 1/20 0.57
KMT2A Q03164 2/20 0.49
FAAH O00519 1/20 0.49
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 2/20 0.49
KDM4E B2RXH2 1/20 0.49
LMNA P02545 1/20 0.49
CYP3A4 P08684 1/20 0.49
HTR1A P08908 1/20 0.49
ADORA3 P0DMS8 1/20 0.49
MAPT P10636 1/20 0.49
ALOX15 P16050 1/20 0.49
TSHR P16473 1/20 0.49
NFKB1 P19838 1/20 0.49
HTR2A P28223 1/20 0.49
HTR2C P28335 1/20 0.49
SLC6A4 P31645 1/20 0.49
HTR7 P34969 1/20 0.49

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
SCHEMBL4113355 1.00 PTPRA (0.61) PTPRACYP2C19NQO2KMT2AFAAH
SCHEMBL22288107 0.91 PTPRA (0.75) PTPRACYP2C19NQO2KMT2AMEN1
SCHEMBL22288108 0.91 PTPRA (0.75) PTPRACYP2C19NQO2KMT2AMEN1
SCHEMBL20931031 0.91 PTPRA (0.75) PTPRACYP2C19NQO2KMT2AMEN1
SCHEMBL5115733 0.86 PTPRA (0.67) PTPRACYP2C19NQO2KMT2AMEN1
SCHEMBL1580111 0.86 PTPRA (0.82) PTPRACYP2C19NQO2KMT2AMEN1
SCHEMBL1580112 0.86 PTPRA (0.82) PTPRACYP2C19NQO2KMT2AMEN1
SCHEMBL5115727 0.86 PTPRA (0.67) PTPRACYP2C19NQO2KMT2AMEN1
SCHEMBL5116320 0.82 HTR2A (0.54) CYP2C19KMT2AMEN1ALDH1A1KDM4E
SCHEMBL6784869 0.82 TACR1 (0.57) CYP2C19KMT2AMEN1ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11224609-B2 Mithramycin derivatives having increased selectivity and anti-cancer activity UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2022-01-18 US disclosed
US-20190083519-A1 MITHRAMYCIN DERIVATIVES HAVING INCREASED SELECTIVITY AND ANTI-CANCER ACTIVITY UNITED STATES GOVERNMENT 2019-03-21 US disclosed
US-7439258-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM (CANADA) LTD (CA) 2008-10-21 US disclosed
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-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 (4 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-11224609-B2 Mithramycin derivatives having increased selectivity and anti-cancer activity TFAM, ELF3, TEAD4 PTPRA 2308/4885CYP2C19 4791/4885NQO2 2981/4885
US-20190083519-A1 MITHRAMYCIN DERIVATIVES HAVING INCREASED SELECTIVITY AND ANTI-CANCER ACTIVITY TFAM, ELF3, TEAD4 PTPRA 2308/4885CYP2C19 4791/4885NQO2 2981/4885

“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.