SCHEMBL3504239

SCHEMBL3504239

N=C(N)c1ccnc(-c2ccc(-c3ccc(-c4cc(C(=N)N)ccn4)s3)s2)c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 1/20 0.42
KDM4B O94953 1/20 0.40
KDM5C P41229 1/20 0.40
KDM5B Q9UGL1 1/20 0.40
F2 P00734 3/20 0.39
PRSS1 P07477 2/20 0.39
PRSS2 P07478 2/20 0.39
PRSS3 P35030 2/20 0.39
C1S P09871 1/20 0.39
PLG P00747 1/20 0.39
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
GLA P06280 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
F10 P00742 2/20 0.38
F7 P08709 2/20 0.38
F12 P00748 1/20 0.38
F3 P13726 1/20 0.38
PKM P14618 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 0.83 PRSS1 (0.50) KDM4BKDM5CKDM5BF2PRSS1
SCHEMBL9792777 0.76 PRSS1 (0.61) F2PRSS1PRSS2PRSS3C1S
SCHEMBL4951283 0.76 PRSS1 (0.39) KDM5CF2PRSS1PRSS2PRSS3
SCHEMBL4356178 0.74 NQO2 (0.46) NQO2F2PRSS1PRSS2PRSS3
SCHEMBL3504631 0.74 PRSS1 (0.38) KDM4BKDM5CKDM5BF2PRSS1
SCHEMBL14507287 0.73 NQO2 (0.47) NQO2F2PRSS1PRSS3
SCHEMBL28809489 0.71 F2 (0.42) F2PRSS1PRSS2PRSS3C1S
SCHEMBL1159737 0.71 F12 (0.44) F2PRSS1PRSS2PRSS3C1S
SCHEMBL8096354 0.70 NQO2 (0.68) NQO2F2PRSS1PRSS2PRSS3
SCHEMBL3788282 0.70 NQO2 (0.49) NQO2F2PRSS1PRSS3

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 10 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
US-20100249175-A1 Dicationic compounds which selectively recognize G-quadruplex DNA GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION, INC. 2010-09-30 US disclosed
US-7517893-B2 Bichalcophenes and their prodrugs as antiprotozoal agents THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2009-04-14 US disclosed
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 disclosed
EP-1792613-A2 Dicationic compounds which selectively recognize G-quadruplex DNA UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2007-06-06 EP disclosed
US-20060293540-A1 Novel bichalcophenes and their prodrugs as antiprotozoal agents TIDWELL RICHARD R 2006-12-28 US disclosed
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 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-20100249175-A1 Dicationic compounds which selectively recognize G-quadruplex DNA DDB1, DNA2, SSBP1 NQO2 1541/4885KDM4B 1701/4885KDM5C 2487/4885
US-20060293540-A1 Novel bichalcophenes and their prodrugs as antiprotozoal agents CASP7, DDT, BAD NQO2 1951/4885KDM4B 1945/4885KDM5C 2093/4885

“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.