SCHEMBL395340

SCHEMBL395340

COc1cc(-c2ccc(C(=N)N)cc2)c(OC)cc1-c1ccc(C(=N)N)cc1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 6/20 0.55
PRSS2 P07478 2/20 0.55
PRSS3 P35030 2/20 0.55
NQO2 P16083 4/20 0.50
WDR5 P61964 1/20 0.47
PTGIR P43119 1/20 0.46
BACE1 P56817 1/20 0.45
ST14 Q9Y5Y6 1/20 0.44
ALDH1A1 P00352 1/20 0.44
TOP1 P11387 1/20 0.44
HPGD P15428 1/20 0.44
CASP1 P29466 1/20 0.44
CASP7 P55210 1/20 0.44
HSD17B10 Q99714 1/20 0.44
PRMT1 Q99873 1/20 0.44
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL27440301 0.84 PRSS1 (0.46) PRSS1PRSS2PRSS3NQO2PTGIR
SCHEMBL27439992 0.80 PRSS1 (0.49) PRSS1PRSS2PRSS3NQO2WDR5
SCHEMBL3368852 0.76 PRSS1 (0.77) PRSS1PRSS2PRSS3BACE1ALDH1A1
SCHEMBL25125397 0.76 CA1 (0.58) BACE1ALDH1A1
SCHEMBL29524321 0.75 PRSS1 (0.48) PRSS1PRSS2PRSS3
SCHEMBL8842473 0.75 PRSS1 (0.48) PRSS1PRSS2PRSS3
Hydrochloric Acid SCHEMBL6287246 0.75 PRSS1 (0.77) PRSS1PRSS2PRSS3BACE1ALDH1A1
SCHEMBL15293729 0.75 PRSS1 (0.88) PRSS1PRSS2PRSS3NQO2WDR5
SCHEMBL16836280 0.74 PRSS1 (0.58) PRSS1PRSS2PRSS3ST14ALDH1A1
SCHEMBL15932980 0.74 MGAM (0.67) BACE1

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-20060293328-A1 Linear dicationic terphenyls and their aza analogues as antiparasitic agents TIDWELL RICHARD R 2006-12-28 US claimed
EP-1736466-A1 Linear dicationic terphenyls and their aza analogues as antiparasitic agents The University of North Carolina at Chapel Hill (US) 2006-12-27 EP claimed
US-8188121-B2 Substituted pyridines as antiparasitic AZA teraryl compounds THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2012-05-29 US disclosed
US-8101636-B2 Linear dicationic terphenyls and their aza analogues as antiparasitic agents THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2012-01-24 US disclosed
US-20110257199-A1 NOVEL TERARYL COMPOUNDS AS ANTIPARASITIC AGENTS TIDWELL RICHARD R 2011-10-20 US disclosed
US-7964619-B2 Teraryl components as antiparasitic agents THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2011-06-21 US disclosed
EP-1949896-A2 Linear dicationic terphenyls and their aza analogues as antiparasitic agents The University of North Carolina At Chapel Hill (US) 2008-07-30 EP disclosed
US-20070232621-A1 Linear dicationic terphenyls and their aza analogues as antiparasitic agents GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION, INC. 2007-10-04 US disclosed
US-20060293328-A1 Linear dicationic terphenyls and their aza analogues as antiparasitic agents TIDWELL RICHARD R 2006-12-28 US disclosed
EP-1736466-A1 Linear dicationic terphenyls and their aza analogues as antiparasitic agents The University of North Carolina at Chapel Hill (US) 2006-12-27 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 (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-20070232621-A1 Linear dicationic terphenyls and their aza analogues as antiparasitic agents TPMT, TYMS, DDT PRSS1 3549/4885PRSS2 3504/4885PRSS3 3974/4885
US-20110257199-A1 NOVEL TERARYL COMPOUNDS AS ANTIPARASITIC AGENTS DDT, ZC3HAV1, MAVS PRSS1 2702/4885PRSS2 3225/4885PRSS3 3421/4885
US-20060293328-A1 Linear dicationic terphenyls and their aza analogues as antiparasitic agents TPMT, TYMS, DDT PRSS1 3549/4885PRSS2 3504/4885PRSS3 3974/4885

“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.