SCHEMBL4353229

SCHEMBL4353229

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 5/20 0.40
KDM4E B2RXH2 4/20 0.40
KDM2A Q9Y2K7 4/20 0.40
KDM3A Q9Y4C1 4/20 0.40
KDM5C P41229 3/20 0.40
KDM6B O15054 2/20 0.40
JMJD6 Q6NYC1 2/20 0.36
FAAH O00519 1/20 0.34
CES1 P23141 1/20 0.34
NQO2 P16083 3/20 0.33
CCR1 P32246 1/20 0.32
CCR5 P51681 1/20 0.32
CCR8 P51685 1/20 0.32
KDM5B Q9UGL1 2/20 0.32
MAOB P27338 1/20 0.31
MTOR P42345 1/20 0.31
ALDH1A1 P00352 1/20 0.30
TOP1 P11387 1/20 0.30
HPGD P15428 1/20 0.30
CASP1 P29466 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
SCHEMBL4356178 0.80 NQO2 (0.46) NQO2ALDH1A1TOP1HPGDCASP1
SCHEMBL5485823 0.78 APP (0.39) FAAHNQO2ALDH1A1TOP1HPGD
SCHEMBL5493324 0.72 NQO2 (0.45) NQO2ALDH1A1TOP1HPGDCASP1
SCHEMBL3504227 0.71 NQO2 (0.57) NQO2ALDH1A1TOP1HPGDCASP1
Pafuramidine SCHEMBL5143735 0.71 NQO2 (0.57) NQO2ALDH1A1TOP1HPGDCASP1
SCHEMBL5489885 0.67 PRMT1 (0.59) NQO2ALDH1A1TOP1HPGDCASP1
SCHEMBL8296085 0.66 PARP1 (0.48) HSD17B10
SCHEMBL8481624 0.65 ALDH1A1 (0.56) ALDH1A1
SCHEMBL4952348 0.65 ALDH1A1 (0.44) KDM4EKDM5CNQO2ALDH1A1TOP1
Hydrochloric Acid SCHEMBL8485517 0.64 ALDH1A1 (0.54) ALDH1A1

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 KDM4C 1418/4885KDM4E 1472/4885KDM2A 2525/4885

“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.