SCHEMBL5482961

SCHEMBL5482961

N=C(NC(=O)OC1=CC(=S)CC=C1)c1ccc(-c2ccc(-c3ccc(C(=N)NC(=O)OC4=CC(=S)CC=C4)cc3)o2)cc1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 12/20 0.35
ALDH1A1 P00352 1/20 0.34
TOP1 P11387 1/20 0.34
HPGD P15428 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
HSD17B10 Q99714 1/20 0.34
PRMT1 Q99873 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
TOP2A P11388 1/20 0.33
TOP2B Q02880 1/20 0.33
HSPD1 P10809 1/20 0.30
HSPE1 P61604 1/20 0.30
PRSS1 P07477 1/20 0.30
TMPRSS15 P98073 1/20 0.30

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
SCHEMBL5485793 0.73 NQO2 (0.53) NQO2ALDH1A1TOP1HPGDCASP1
SCHEMBL548327 0.72 NQO2 (0.49) NQO2ALDH1A1TOP1HPGDCASP1
SCHEMBL27631250 0.71 NQO2 (0.44) NQO2ALDH1A1TOP1HPGDCASP1
SCHEMBL549273 0.70 NQO2 (0.59) NQO2ALDH1A1HPGDHSD17B10PRSS1
SCHEMBL548447 0.70 NQO2 (0.51) NQO2ALDH1A1TOP1HPGDCASP1
SCHEMBL549163 0.68 NQO2 (0.40) NQO2ALDH1A1TOP1HPGDCASP1
SCHEMBL549298 0.68 NQO2 (0.47) NQO2ALDH1A1TOP1HPGDCASP1
SCHEMBL549257 0.67 NQO2 (0.46) NQO2TDP1
SCHEMBL548438 0.67 NQO2 (0.50) NQO2ALDH1A1TOP1HPGDCASP1
SCHEMBL549333 0.65 NQO2 (0.53) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1242059-B1 NOVEL PRODRUGS FOR ANTIMICROBIAL AMIDINES UNIV NORTH CAROLINA (US) 2007-03-21 EP 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-1242059-B1 NOVEL PRODRUGS FOR ANTIMICROBIAL AMIDINES UNIV NORTH CAROLINA (US) 2007-03-21 EP 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 (2 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-20030092755-A1 Novel prodrugs for antimicrobial amidines NR1H3, APEH, NR1H2 NQO2 396/4885ALDH1A1 976/4885TOP1 2140/4885
US-20020019437-A1 Novel prodrugs for antimicrobial amidines NR1H3, APEH, NR1H2 NQO2 396/4885ALDH1A1 976/4885TOP1 2140/4885

“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.