SCHEMBL6596580

SCHEMBL6596580

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 15/20 0.49
ALDH1A1 P00352 8/20 0.49
SMN1; SMN2 Q16637 8/20 0.49
KDM4E B2RXH2 8/20 0.49
HPGD P15428 6/20 0.49
LMNA P02545 1/20 0.49
RAB9A P51151 9/20 0.47
NPC1 O15118 9/20 0.47
NFKB1 P19838 3/20 0.47
NFKB2 Q00653 3/20 0.47
RELA Q04206 3/20 0.47
STAT1 P42224 1/20 0.47
L3MBTL1 Q9Y468 3/20 0.47
GAA P10253 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
HSD17B10 Q99714 6/20 0.46
TSHR P16473 4/20 0.46
CASP1 P29466 3/20 0.46
CASP7 P55210 1/20 0.46
HBB P68871 1/20 0.46

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
SCHEMBL6595260 0.87 MAPT (0.56) MAPTALDH1A1SMN1; SMN2KDM4EHPGD
SCHEMBL6597838 0.81 ALDH1A1 (0.43) MAPTALDH1A1KDM4EHPGDLMNA
SCHEMBL6594239 0.79 MAPT (0.50) MAPTALDH1A1SMN1; SMN2KDM4EHPGD
SCHEMBL5841619 0.76 NLRP3 (0.43) MAPTALDH1A1SMN1; SMN2KDM4EHPGD
SCHEMBL7745256 0.76 CYP4F2 (0.42) MAPTALDH1A1SMN1; SMN2KDM4EHPGD
SCHEMBL5842208 0.75 KDM4E (0.49) MAPTALDH1A1KDM4EHPGDLMNA
SCHEMBL5842755 0.72 MAPT (0.37) MAPTALDH1A1SMN1; SMN2KDM4EHPGD
SCHEMBL6594379 0.71 MAPT (0.37) MAPTALDH1A1SMN1; SMN2KDM4EHPGD
SCHEMBL14566737 0.70 MAPT (0.62) MAPTALDH1A1SMN1; SMN2KDM4EHPGD
SCHEMBL5842941 0.70 TTR (0.39) CYP3A4

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 3893/4885ALDH1A1 138/4885SMN1; SMN2 1229/4885
US-20030144522-A1 Substituted N-aryl nitrogen-containing heterocyclic compounds NAT1, CYP1B1, CYP1A1 MAPT 3893/4885ALDH1A1 138/4885SMN1; SMN2 1229/4885

“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.