SCHEMBL4065984

SCHEMBL4065984

O=S(=O)(Nc1nc2ncccn2n1)c1cccs1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.51
NFKBIA P25963 1/20 0.49
RELA Q04206 1/20 0.49
GLO1 Q04760 1/20 0.49
MMP2 P08253 2/20 0.46
TSHR P16473 4/20 0.45
LMNA P02545 1/20 0.45
TP53 P04637 1/20 0.45
ALOX15 P16050 1/20 0.45
OPRK1 P41145 1/20 0.45
HTT P42858 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
TLR9 Q9NR96 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
ALDH1A1 P00352 5/20 0.44
HPGD P15428 3/20 0.44
KMT2A Q03164 3/20 0.44
CYP2D6 P10635 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 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
SCHEMBL4072266 0.80 RAB9A (0.55) KDM4ENFKBIARELAGLO1TSHR
SCHEMBL4059196 0.79 ALDH1A1 (0.53) KDM4ENFKBIAGLO1TSHRLMNA
SCHEMBL8840340 0.78 KDM4E (0.69) KDM4ENFKBIARELAGLO1MMP2
SCHEMBL8357447 0.75 SLC40A1 (0.49) TSHRLMNATDP1ALDH1A1HPGD
SCHEMBL4065421 0.75 HPGD (0.53) KDM4ENFKBIARELAGLO1TSHR
SCHEMBL7026901 0.73 KDM4E (0.52) KDM4ENFKBIARELAGLO1MMP2
SCHEMBL6629690 0.71 KDM4E (0.54) KDM4ETSHRHTTALDH1A1HPGD
SCHEMBL13204665 0.71 HPGD (0.40) KDM4ETSHRLMNATDP1ALDH1A1
SCHEMBL1385951 0.70 HPGD (0.41) KDM4ETSHRLMNAALDH1A1HPGD
SCHEMBL4723109 0.68 KDM4E (1.00) KDM4ENFKBIARELAGLO1MMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1330458-B1 N-( 1,2,4 TRIAZOLOAZINYL) THIOPHENESULFONAMIDE COMPOUNDS AS HERBICIDES DOW AGROSCIENCES LLC (US) 2009-06-03 EP disclosed
US-6645918-B1 N-(Triazolo(1,5-a)pyrimidinyl)thiophenesulfonamide compounds; postemergence herbicides; agriculture DOW AGROSCIENCES LLC 2003-11-11 US disclosed
US-20030199393-A1 N- ([1,2,4,] TRIAZOLOAZINYL) THIOPHENESULFONAMIDE COMPOUNDS AND THEIR USE AS HERBICIDES ARNDT KIM ERIC (US) 2003-10-23 US disclosed
US-6518222-B2 Prepared from 2-amino(1,2,4)triazolo(1,5-c)pyrimidine, 2-amino(1,2,4)triazolo(1,5-a)pyrimidine, and 2-amino(1,2,4)triazolo(1,5-a)pyridine compounds and thiophenesulfonyl chloride compounds DOW AGROSCIENCES LLC 2003-02-11 US disclosed
US-20020094935-A1 N-([1,2,4] triazoloazinyl) thiophenesulfonamide compounds and their use as herbicides DOW AGROSCIENCES LLC 2002-07-18 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 (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-20020094935-A1 N-([1,2,4] triazoloazinyl) thiophenesulfonamide compounds and their use as herbicides PNPO, NAT1, DDT KDM4E 1222/4885NFKBIA 4168/4885RELA 4872/4885
US-20030199393-A1 N- ([1,2,4,] TRIAZOLOAZINYL) THIOPHENESULFONAMIDE COMPOUNDS AND THEIR USE AS HERBICIDES NAT1, TST, TASP1 KDM4E 1937/4885NFKBIA 4289/4885RELA 4846/4885

“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.