SCHEMBL6597128

SCHEMBL6597128

Cn1c(=O)n(-c2ccc(Cl)cc2F)c(=S)n1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR4 O95977 1/20 0.38
S1PR1 P21453 1/20 0.38
S1PR5 Q9H228 1/20 0.38
SLC22A12 Q96S37 1/20 0.36
BRD9 Q9H8M2 1/20 0.35
CA12 O43570 1/20 0.35
CA2 P00918 1/20 0.35
CA4 P22748 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CCR2 P41597 2/20 0.34
TAS2R14 Q9NYV8 1/20 0.34
CCR1 P32246 1/20 0.34
CCR5 P51681 1/20 0.34
TSHR P16473 1/20 0.34
AOC3 Q16853 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
TGFBR1 P36897 1/20 0.34
PDE4B Q07343 3/20 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
SCHEMBL6829738 0.79 BRD9 (0.39) S1PR4S1PR1S1PR5SLC22A12BRD9
SCHEMBL6829856 0.77 S1PR4 (0.37) S1PR4S1PR1S1PR5SLC22A12CA12
SCHEMBL11243422 0.74 GSK3A (0.50) GSK3AGSK3B
SCHEMBL11618507 0.72 GSK3A (0.39) TSHRGSK3AGSK3B
SCHEMBL10575241 0.72 S1PR4 (0.42) S1PR4S1PR1S1PR5SLC22A12BRD9
SCHEMBL31442447 0.71 ALDH1A1 (0.51) CCR2CCR1CCR5TSHRPDE4B
SCHEMBL10911510 0.71 ALDH1A1 (0.51) CCR2CCR1CCR5TSHRPDE4B
SCHEMBL20575403 0.70 MYC (0.54) S1PR4S1PR1S1PR5SLC22A12AOC3
SCHEMBL29709206 0.69 HSD11B1 (0.36) S1PR4S1PR1S1PR5SLC22A12BRD9
SCHEMBL7562176 0.69 HSD11B1 (0.36) S1PR4S1PR1S1PR5SLC22A12BRD9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1120411-B1 4-Aryl-1,2,4-triazolidinedione derivatives and their use as herbicides BAYER CROPSCIENCE AG (DE) 2004-09-22 EP disclosed
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.