SCHEMBL6595260

SCHEMBL6595260

COC(=O)CSc1c[c]c(F)cc1C#N

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.56
KDM4E B2RXH2 7/20 0.56
CYP1A2 P05177 2/20 0.56
CYP2C19 P33261 2/20 0.56
GLA P06280 1/20 0.56
CYP3A4 P08684 1/20 0.56
GAA P10253 1/20 0.56
CYP2C9 P11712 1/20 0.56
HSD17B10 Q99714 7/20 0.53
ALDH1A1 P00352 5/20 0.53
TP53 P04637 4/20 0.53
HPGD P15428 3/20 0.53
NPC1 O15118 8/20 0.43
RAB9A P51151 7/20 0.43
SMN1; SMN2 Q16637 5/20 0.43
NFKB1 P19838 5/20 0.43
NFKB2 Q00653 5/20 0.43
RELA Q04206 5/20 0.43
LMNA P02545 1/20 0.43
NPSR1 Q6W5P4 3/20 0.42

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
SCHEMBL6596580 0.87 MAPT (0.49) MAPTKDM4ECYP1A2CYP2C19GLA
SCHEMBL1809162 0.80 ALDH1A1 (0.43) MAPTKDM4ECYP1A2CYP2C19GLA
SCHEMBL25575139 0.76 MAPT (0.75) MAPTKDM4ECYP1A2CYP2C19GLA
SCHEMBL6594379 0.75 MAPT (0.37) MAPTKDM4ECYP1A2CYP2C19GLA
SCHEMBL5843410 0.75 ALDH1A1 (0.38) MAPTKDM4ECYP1A2CYP2C19GLA
SCHEMBL6595259 0.75 AR (0.48) MAPTKDM4ECYP1A2CYP2C19GLA
SCHEMBL7745264 0.73 NPC1 (0.44) MAPTKDM4ECYP1A2CYP2C19GLA
SCHEMBL6594239 0.71 MAPT (0.50) MAPTKDM4EGAAHSD17B10ALDH1A1
SCHEMBL4420424 0.70 MAPT (0.56) MAPTKDM4ECYP1A2CYP2C19GLA
SCHEMBL2071971 0.68 ALDH1A1 (0.59) MAPTKDM4ECYP1A2CYP2C19GLA

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 MAPT 3893/4885KDM4E 2151/4885CYP1A2 6/4885
US-20030144522-A1 Substituted N-aryl nitrogen-containing heterocyclic compounds NAT1, CYP1B1, CYP1A1 MAPT 3893/4885KDM4E 2151/4885CYP1A2 6/4885

“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.