SCHEMBL6829856

SCHEMBL6829856

Cn1[nH]c(=O)n(-c2ccc(Cl)cc2F)c1=S

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR4 O95977 1/20 0.37
S1PR1 P21453 1/20 0.37
S1PR5 Q9H228 1/20 0.37
CA12 O43570 1/20 0.36
CA2 P00918 1/20 0.36
CA4 P22748 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
AOC3 Q16853 2/20 0.35
TLR8 Q9NR97 1/20 0.35
SLC22A12 Q96S37 1/20 0.35
KDM4E B2RXH2 1/20 0.35
HTT P42858 1/20 0.35
NOX4 Q9NPH5 1/20 0.34
CCR2 P41597 2/20 0.33
MYC P01106 1/20 0.33
NR4A1 P22736 1/20 0.33
APAF1 O14727 1/20 0.33
TAS2R14 Q9NYV8 1/20 0.33
IDO1 P14902 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
SCHEMBL6597128 0.77 S1PR4 (0.38) S1PR4S1PR1S1PR5CA12CA2
SCHEMBL11235933 0.75 SMN1; SMN2 (0.45) KDM4EHTT
SCHEMBL6829738 0.71 BRD9 (0.39) S1PR4S1PR1S1PR5AOC3SLC22A12
SCHEMBL6593391 0.70 LMNA (0.34) CA12CA2CA7CA9KDM4E
SCHEMBL10574822 0.70 SMN1; SMN2 (0.61) S1PR4S1PR1S1PR5AOC3TLR8
SCHEMBL22495466 0.68 HTT (0.40) S1PR4S1PR1S1PR5AOC3SLC22A12
SCHEMBL20575403 0.68 MYC (0.54) S1PR4S1PR1S1PR5AOC3SLC22A12
SCHEMBL7993538 0.67 L3MBTL1 (0.45) HTTNOX4GLATSHR
SCHEMBL10575241 0.67 S1PR4 (0.42) S1PR4S1PR1S1PR5CA12CA2
SCHEMBL10911510 0.66 ALDH1A1 (0.51) KDM4EHTTCCR2CCR1CCR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6743755-B2 HERBICIDAL COMPOSITION WHICH HAS A CONTENT OF AT LEAST ONE N-ARYL NITROGEN-CONTAINING HETEROCYCLIC COMPOUND OF THE GENERAL METHOD OF COMBATING UNDESIRABLE PLANTS WHICH COMPRISES ALLOWING AN N-ARYL NITROGEN-CONTAINING HETEROCYCLIC BAYER AKTIENGESELLSCHAFT (DE) 2004-06-01 US disclosed
US-20030208073-A1 Substituted N-aryl nitrogen-containing heterocyclic compounds LINKER KARL-HEINZ (DE) 2003-11-06 US disclosed
US-20030144522-A1 Substituted N-aryl nitrogen-containing heterocyclic compounds LINKER KARL-HEINZ (DE) 2003-07-31 US disclosed
US-6426318-B1 KILLING WEEDS BAYER AKTIENGESELLSCHAFT (DE) 2002-07-30 US disclosed
EP-1120411-A2 4-Aryl-1,2,4-triazolidinedione derivatives and their use as herbicides BAYER AG (DE) 2001-08-01 EP disclosed
US-6162765-A Substituted N-aryl nitrogen-containing heterocyclic compounds BAYER AKTIENGESELLSCHAFT (DE) 2000-12-19 US disclosed
EP-0797573-A1 3-ARYL-1,2,4-TRIAZOLE DERIVATIVES WITH HERBICIDAL PROPERTIES BAYER AG (DE) 1997-10-01 EP disclosed
WO-1996018618-A1 3-ARYL-1,2,4-TRIAZOLE DERIVATIVES WITH HERBICIDAL PROPERTIES BAYER AKTIENGESELLSCHAFT (DE) 1996-06-20 WO 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-20030208073-A1 Substituted N-aryl nitrogen-containing heterocyclic compounds NAT1, CYP1B1, CYP1A1 S1PR4 4634/4885S1PR1 4395/4885S1PR5 4674/4885
US-20030144522-A1 Substituted N-aryl nitrogen-containing heterocyclic compounds NAT1, CYP1B1, CYP1A1 S1PR4 4634/4885S1PR1 4395/4885S1PR5 4674/4885

“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.