SCHEMBL6594239

SCHEMBL6594239

CCOC(=O)C(C)Sc1c[c]c(F)cc1C#N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.50
TDP1 Q9NUW8 4/20 0.50
ALDH1A1 P00352 11/20 0.47
KDM4E B2RXH2 7/20 0.47
HPGD P15428 7/20 0.47
KMT2A Q03164 5/20 0.47
MEN1 O00255 4/20 0.47
NPSR1 Q6W5P4 3/20 0.41
GAA P10253 3/20 0.38
HSD17B10 Q99714 3/20 0.38
TSHR P16473 1/20 0.38
L3MBTL1 Q9Y468 4/20 0.37
LMNA P02545 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MAPK1 P28482 1/20 0.35
RAB9A P51151 2/20 0.35
NPC1 O15118 1/20 0.35
NFKB1 P19838 1/20 0.35
STAT1 P42224 1/20 0.35
NFKB2 Q00653 1/20 0.35

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
SCHEMBL6594379 0.88 MAPT (0.37) MAPTTDP1ALDH1A1KDM4EHPGD
SCHEMBL6594445 0.81 MAPT (0.41) MAPTTDP1ALDH1A1KDM4EHPGD
SCHEMBL6596580 0.79 MAPT (0.49) MAPTTDP1ALDH1A1KDM4EHPGD
SCHEMBL5842755 0.79 MAPT (0.37) MAPTTDP1ALDH1A1KDM4EHPGD
SCHEMBL6593244 0.77 MAPT (0.38) MAPTTDP1ALDH1A1KDM4EHPGD
SCHEMBL5842208 0.74 KDM4E (0.49) MAPTTDP1ALDH1A1KDM4EHPGD
SCHEMBL6593077 0.73 ALDH1A1 (0.33) MAPTTDP1ALDH1A1KDM4EHPGD
SCHEMBL6594484 0.73 NLRP3 (0.34) MAPTTDP1ALDH1A1KDM4EHPGD
SCHEMBL14960171 0.71 MAPT (0.56) MAPTTDP1ALDH1A1KDM4EHPGD
SCHEMBL6595260 0.71 MAPT (0.56) MAPTALDH1A1KDM4EHPGDKMT2A

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 10 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-1997026248-A1 SUBSTITUTED N-ARYL NITROGEN HETEROCYCLIC COMPOUNDS AND THEIR USE AS HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-07-24 WO 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 3893/4885TDP1 2064/4885ALDH1A1 138/4885
US-20030144522-A1 Substituted N-aryl nitrogen-containing heterocyclic compounds NAT1, CYP1B1, CYP1A1 MAPT 3893/4885TDP1 2064/4885ALDH1A1 138/4885

“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.