SCHEMBL5482696

SCHEMBL5482696

N=C(NO)c1ccc(-c2ccc(-c3ccc(C(=N)NO)cc3)o2)cc1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 13/20 0.59
PRMT1 Q99873 2/20 0.59
TDP1 Q9NUW8 2/20 0.59
ALDH1A1 P00352 1/20 0.59
TOP1 P11387 1/20 0.59
HPGD P15428 1/20 0.59
CASP1 P29466 1/20 0.59
CASP7 P55210 1/20 0.59
HSD17B10 Q99714 1/20 0.59
TOP2A P11388 3/20 0.57
TOP2B Q02880 3/20 0.57
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL3504817 0.89 NQO2 (0.49) NQO2PRMT1TDP1ALDH1A1TOP1
SCHEMBL3508193 0.89 NQO2 (0.47) NQO2PRMT1TDP1ALDH1A1TOP1
SCHEMBL394063 0.87 NQO2 (0.46) NQO2PRMT1TDP1ALDH1A1TOP1
SCHEMBL5491209 0.84 PRMT1 (0.61) NQO2PRMT1TDP1ALDH1A1TOP1
SCHEMBL5489119 0.84 NQO2 (0.44) NQO2PRMT1TDP1ALDH1A1TOP1
SCHEMBL4951247 0.81 NQO2 (0.47) NQO2PRMT1TDP1ALDH1A1TOP1
SCHEMBL399205 0.79 ALDH1A1 (0.46) NQO2PRMT1TDP1ALDH1A1TOP1
SCHEMBL12348299 0.79 HSD17B10 (0.36) PRMT1ALDH1A1HPGDHSD17B10
SCHEMBL549233 0.77 NQO2 (0.52) NQO2PRMT1TDP1ALDH1A1TOP1
SCHEMBL3504227 0.77 NQO2 (0.57) NQO2PRMT1TDP1ALDH1A1TOP1

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 7 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 disclosed
US-20040127721-A1 Process for the synthesis of bis-aryl diamidoxime compounds UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL 2004-07-01 US disclosed
US-6649652-B2 Hypotensive agents; hyperglycemic agents THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL 2003-11-18 US disclosed
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 disclosed
US-6503940-B2 Aids therapy THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL 2003-01-07 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 (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-20040127721-A1 Process for the synthesis of bis-aryl diamidoxime compounds DDT, DAO, DDO NQO2 339/4885PRMT1 3200/4885TDP1 1405/4885
US-20030092755-A1 Novel prodrugs for antimicrobial amidines NR1H3, APEH, NR1H2 NQO2 396/4885PRMT1 1521/4885TDP1 2764/4885
US-20020019437-A1 Novel prodrugs for antimicrobial amidines NR1H3, APEH, NR1H2 NQO2 396/4885PRMT1 1521/4885TDP1 2764/4885

“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.