SCHEMBL548327

SCHEMBL548327

N=C(NC(=O)Oc1ccccc1)c1ccc(-c2ccc(-c3ccc(C(=N)NC(=O)Oc4ccccc4)cc3)o2)cc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 12/20 0.49
PRSS1 P07477 3/20 0.44
TMPRSS15 P98073 3/20 0.44
PTPN1 P18031 1/20 0.44
PTPN11 Q06124 1/20 0.44
ALDH1A1 P00352 1/20 0.41
TOP1 P11387 1/20 0.41
HPGD P15428 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PRMT1 Q99873 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
TOP2A P11388 1/20 0.41
TOP2B Q02880 1/20 0.41

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
SCHEMBL27631250 0.88 NQO2 (0.44) NQO2PRSS1TMPRSS15ALDH1A1TOP1
SCHEMBL549273 0.86 NQO2 (0.59) NQO2PRSS1TMPRSS15ALDH1A1HPGD
SCHEMBL548447 0.86 NQO2 (0.51) NQO2PRSS1TMPRSS15PTPN1ALDH1A1
SCHEMBL548438 0.85 NQO2 (0.50) NQO2PRSS1TMPRSS15PTPN1ALDH1A1
SCHEMBL5485793 0.82 NQO2 (0.53) NQO2PTPN1PTPN11ALDH1A1TOP1
SCHEMBL549257 0.80 NQO2 (0.46) NQO2PTPN1PTPN11TDP1
SCHEMBL20118384 0.80 SLC1A3 (0.44) PRSS1TMPRSS15ALDH1A1HPGDTDP1
SCHEMBL7988545 0.77 SLC1A3 (0.41) ALDH1A1HPGDHSD17B10TDP1
SCHEMBL549163 0.73 NQO2 (0.40) NQO2PRSS1TMPRSS15ALDH1A1TOP1
SCHEMBL549298 0.73 NQO2 (0.47) NQO2ALDH1A1TOP1HPGDCASP1

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 100 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070099905-A1 Combinations of drugs for the treatment of neoplasms BORISY ALEXIS 2007-05-03 US claimed
EP-1242059-B1 NOVEL PRODRUGS FOR ANTIMICROBIAL AMIDINES UNIV NORTH CAROLINA (US) 2007-03-21 EP claimed
EP-1651211-A4 COMBINATION OF DRUGS FOR THE TREATMENT OF NEOPLASMS COMBINATORX INC (US) 2006-11-22 EP claimed
EP-1651211-A2 COMBINATION OF DRUGS FOR THE TREATMENT OF NEOPLASMS Combinatorx, Incorporated (US) 2006-05-03 EP claimed
CN-1681511-A Combinations of drugs for the treatment of neoplasms COMBINATORX INC (US) 2005-10-12 CN claimed
EP-1545544-A2 COMBINATIONS OF DRUGS FOR THE TREATMENT OF NEOPLASMS Combinatorx, Incorporated (US) 2005-06-29 EP claimed
US-20050080075-A1 Formulations, conjugates, and combinations of drugs for the treatment of neoplasms COMBINATORX, INC. 2005-04-14 US claimed
WO-2005020913-A2 FORMULATIONS, CONJUGATES, AND COMBINATIONS OF DRUGS FOR THE TREATMENT OF NEOPLASMS COMBINATORX, INCORPORATED (US) 2005-03-10 WO claimed
US-20050054708-A1 Combinations of drugs for the treatment of neoplasms COMINATORX, INCORPORATED 2005-03-10 US claimed
WO-2005011572-A2 COMBINATION OF DRUGS FOR THE TREATMENT OF NEOPLASMS COMBINATORX, INCORPORATED (US) 2005-02-10 WO claimed
US-20040116407-A1 Combinations of drugs for the treatment of neoplasms COMBINATORX, INC. 2004-06-17 US claimed
WO-2004006842-A2 COMBINATIONS OF DRUGS FOR THE TREATMENT OF NEOPLASMS COMBINATORX, INCORPORATED (US) 2004-01-22 WO claimed
WO-2004006849-A2 COMBINATIONS OF DRUGS FOR THE TREATMENT OF NEOPLASMS COMBINATORX, INCORPORATED (US) 2004-01-22 WO claimed
US-6649652-B2 Hypotensive agents; hyperglycemic agents THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL 2003-11-18 US claimed
US-20030092755-A1 Novel prodrugs for antimicrobial amidines NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-05-15 US claimed
US-20020019437-A1 Novel prodrugs for antimicrobial amidines NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2002-02-14 US claimed
EP-1891013-B1 TETRAHYDROQUINOLINE DERIVATIVES MERCK PATENT GMBH (DE) 2014-07-23 EP disclosed
US-8524732-B2 Substituted tetrahydroquinolines MERCK PATENT GMBH (DE) 2013-09-03 US disclosed
US-6486200-B1 Prodrugs for antimicrobial amidines THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL 2002-11-26 US disclosed
US-20020019437-A1 Novel prodrugs for antimicrobial amidines NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2002-02-14 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 (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-20050080075-A1 Formulations, conjugates, and combinations of drugs for the treatment of neoplasms ABCB1, SLCO1B3, SLCO1B1 NQO2 667/4885PRSS1 3168/4885TMPRSS15 524/4885
US-20070099905-A1 Combinations of drugs for the treatment of neoplasms VHL, NRAS, MYC NQO2 132/4885PRSS1 2212/4885TMPRSS15 227/4885
US-20050054708-A1 Combinations of drugs for the treatment of neoplasms TYMP, DPYD, DHFR NQO2 129/4885PRSS1 1458/4885TMPRSS15 199/4885
US-20030092755-A1 Novel prodrugs for antimicrobial amidines NR1H3, APEH, NR1H2 NQO2 396/4885PRSS1 962/4885TMPRSS15 1161/4885
US-20020019437-A1 Novel prodrugs for antimicrobial amidines NR1H3, APEH, NR1H2 NQO2 396/4885PRSS1 962/4885TMPRSS15 1161/4885

“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.