SCHEMBL6594445

SCHEMBL6594445

CCOC(=O)C(C)Sc1c[c]c(F)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.41
ALDH1A1 P00352 4/20 0.41
TDP1 Q9NUW8 3/20 0.41
LMNA P02545 2/20 0.41
HPGD P15428 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
GAA P10253 1/20 0.38
KDM4E B2RXH2 6/20 0.35
ALOX15 P16050 1/20 0.35
HSD17B10 Q99714 1/20 0.35
POLB P06746 3/20 0.35
TP53 P04637 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
PRNP P04156 1/20 0.34
PPOX P50336 1/20 0.34

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
SCHEMBL6597414 0.86 ALDH1A1 (0.38) MAPTALDH1A1LMNAHPGDMEN1
SCHEMBL6594239 0.81 MAPT (0.50) MAPTALDH1A1TDP1LMNAHPGD
SCHEMBL6597838 0.77 ALDH1A1 (0.43) MAPTALDH1A1TDP1LMNAHPGD
SCHEMBL5842163 0.77 SMN1; SMN2 (0.34) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL8603149 0.76 MAPT (0.41) MAPTALDH1A1TDP1LMNAHPGD
SCHEMBL6592765 0.75 PPOX (0.48) MAPTALDH1A1TDP1LMNAHPGD
SCHEMBL6594481 0.75 BAZ2B (0.49) MAPTALDH1A1LMNAHPGDGAA
SCHEMBL4678444 0.73 MAPT (0.39) MAPTALDH1A1TDP1LMNAHPGD
SCHEMBL6594864 0.72 CYP2C9 (0.39) MAPTALDH1A1TDP1LMNAHPGD
SCHEMBL9569006 0.72 MAPT (0.37) MAPTALDH1A1TDP1LMNAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1171879-C Herbicidal 3-aryl-1,2,4-triazole derivative 拜尔公司 2004-10-20 CN disclosed
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 3893/4885ALDH1A1 138/4885TDP1 2064/4885
US-20030144522-A1 Substituted N-aryl nitrogen-containing heterocyclic compounds NAT1, CYP1B1, CYP1A1 MAPT 3893/4885ALDH1A1 138/4885TDP1 2064/4885

“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.