SCHEMBL4356178

SCHEMBL4356178

N=C(N)c1ccnc(-c2ccc(-c3ccc(-c4cc(C(=N)N)ccn4)o3)o2)c1

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 4/20 0.46
PRMT1 Q99873 2/20 0.46
ALDH1A1 P00352 1/20 0.46
TOP1 P11387 1/20 0.46
HPGD P15428 1/20 0.46
CASP1 P29466 1/20 0.46
CASP7 P55210 1/20 0.46
HSD17B10 Q99714 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
TOP2A P11388 1/20 0.44
TOP2B Q02880 1/20 0.44
PRSS1 P07477 8/20 0.40
PRSS2 P07478 1/20 0.39
PRSS3 P35030 1/20 0.39
F2 P00734 1/20 0.38

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
Hydrochloric Acid SCHEMBL9792756 0.81 PRSS1 (0.50) PRSS1PRSS2PRSS3F2
SCHEMBL4353229 0.80 KDM4C (0.40) NQO2PRMT1ALDH1A1TOP1HPGD
SCHEMBL9792777 0.75 PRSS1 (0.61) PRSS1PRSS2PRSS3F2
SCHEMBL3504239 0.74 NQO2 (0.42) NQO2PRSS1PRSS2PRSS3F2
SCHEMBL3505298 0.74 NQO2 (0.52) NQO2PRMT1ALDH1A1TOP1HPGD
SCHEMBL3504631 0.72 PRSS1 (0.38) PRSS1PRSS2PRSS3F2
SCHEMBL14433310 0.71 NQO2 (0.53) NQO2PRMT1ALDH1A1TOP1HPGD
SCHEMBL4951283 0.71 PRSS1 (0.39) PRSS1PRSS2PRSS3F2
SCHEMBL28809489 0.70 F2 (0.42) PRSS1PRSS2PRSS3F2
SCHEMBL1159737 0.70 F12 (0.44) PRSS1PRSS2PRSS3F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7517893-B2 Bichalcophenes and their prodrugs as antiprotozoal agents THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2009-04-14 US claimed
EP-1726589-B1 5,5'-bis-(4-amidinophenyl)-2,2'-bifuran derivatives and related compounds as antiprotozoal agent and prodrugs thereof UNIV NORTH CAROLINA (US) 2008-10-15 EP claimed
US-20060293540-A1 Novel bichalcophenes and their prodrugs as antiprotozoal agents TIDWELL RICHARD R 2006-12-28 US claimed
EP-1726589-A2 5,5'-bis-(4-amidinophenyl)-2,2'-bifuran derivatives and related compounds as antiprotozoal agent and prodrugs thereof UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2006-11-29 EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20060293540-A1 Novel bichalcophenes and their prodrugs as antiprotozoal agents CASP7, DDT, BAD NQO2 1951/4885PRMT1 2216/4885ALDH1A1 2430/4885

“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.