SCHEMBL398414

SCHEMBL398414

NC(=O)N(C(N)=O)C(N)=S

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.33
ATM Q13315 1/20 0.33
ATR Q13535 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
OR51E2 Q9H255 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ACHE P22303 1/20 0.31
TAS2R38 P59533 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
SCHEMBL10568478 0.93 TSHR (0.33) TSHRATMATRALDH1A1LMNA
SCHEMBL3056862 0.76 LMNA (0.46) TSHRALDH1A1LMNAOR51E2TDP1
SCHEMBL6271059 0.73 LMNA (0.41) LMNATDP1TAS2R38
SCHEMBL27501238 0.69
SCHEMBL11523090 0.67 ACHE (0.43) ALDH1A1LMNAOR51E2TDP1ACHE
SCHEMBL23464774 0.65
SCHEMBL27515848 0.65
SCHEMBL5799121 0.64 ALDH1A1 (0.33) ALDH1A1LMNAOR51E2TDP1ACHE
SCHEMBL11501793 0.64 ALDH1A1 (0.33) ALDH1A1LMNAOR51E2TDP1ACHE
SCHEMBL1696462 0.64 LMNA (0.47) TSHRALDH1A1LMNAOR51E2TDP1

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-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
US-7825279-B2 Fused ring dicationic anti-protozoan agents and their prodrugs THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2010-11-02 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
US-20050165044-A1 Fused ring dicationic anti-protozoan agents and their prodrugs BOYKIN DAVID W (US) 2005-07-28 US 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 (4 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 TSHR 1388/4885ATM 4214/4885ATR 738/4885
US-20050165044-A1 Fused ring dicationic anti-protozoan agents and their prodrugs DHODH, DHFR, PAICS TSHR 587/4885ATM 4351/4885ATR 1875/4885
US-20110257199-A1 NOVEL TERARYL COMPOUNDS AS ANTIPARASITIC AGENTS DDT, ZC3HAV1, MAVS TSHR 1860/4885ATM 4079/4885ATR 503/4885
US-20060293328-A1 Linear dicationic terphenyls and their aza analogues as antiparasitic agents TPMT, TYMS, DDT TSHR 1388/4885ATM 4214/4885ATR 738/4885

“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.