SCHEMBL398179

SCHEMBL398179

N=C(NO)c1ccc(-c2ccc(-c3ccc(C(=N)NO)o3)cn2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT1 Q99873 2/20 0.41
HDAC6 Q9UBN7 3/20 0.37
NPC1 O15118 5/20 0.36
RAB9A P51151 4/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
TP53 P04637 2/20 0.35
ALDH1A1 P00352 1/20 0.34
TOP1 P11387 1/20 0.34
HPGD P15428 1/20 0.34
NQO2 P16083 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
RXFP1 Q9HBX9 2/20 0.33
TOP2A P11388 1/20 0.33
TOP2B Q02880 1/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33

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
SCHEMBL394063 0.82 NQO2 (0.46) PRMT1SMN1; SMN2TP53ALDH1A1TOP1
SCHEMBL3504817 0.81 NQO2 (0.49) PRMT1ALDH1A1TOP1HPGDNQO2
SCHEMBL3506390 0.81 FAAH (0.33) PRMT1
SCHEMBL5489119 0.79 NQO2 (0.44) PRMT1HDAC6ALDH1A1TOP1HPGD
SCHEMBL398121 0.78 PRMT1 (0.59) PRMT1ALDH1A1TOP1HPGDNQO2
SCHEMBL395012 0.77 CYP11B1 (0.48) NPC1RAB9ASMN1; SMN2TP53NFKB1
SCHEMBL399205 0.77 ALDH1A1 (0.46) PRMT1NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL5491209 0.76 PRMT1 (0.61) PRMT1HDAC6ALDH1A1TOP1HPGD
SCHEMBL5482696 0.74 NQO2 (0.59) PRMT1ALDH1A1TOP1HPGDNQO2
SCHEMBL5494996 0.73 P4HTM (0.36) PRMT1HDAC6ALDH1A1TOP1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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 PRMT1 2351/4885HDAC6 254/4885NPC1 1749/4885
US-20110257199-A1 NOVEL TERARYL COMPOUNDS AS ANTIPARASITIC AGENTS DDT, ZC3HAV1, MAVS PRMT1 2522/4885HDAC6 53/4885NPC1 688/4885
US-20060293328-A1 Linear dicationic terphenyls and their aza analogues as antiparasitic agents TPMT, TYMS, DDT PRMT1 2351/4885HDAC6 254/4885NPC1 1749/4885

“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.