SCHEMBL6594937

SCHEMBL6594937

C=C(Cl)COc1c[c]c(F)cc1Cl

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
LMNA P02545 1/20 0.33
MEN1 O00255 1/20 0.30
ALOX12 P18054 1/20 0.30
KMT2A Q03164 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL6592805 0.78 LMNA (0.60) ALDH1A1KDM4EHPGDTDP1LMNA
SCHEMBL5843254 0.77 MAPT (0.37) ALDH1A1KDM4ELMNAKMT2ARAB9A
SCHEMBL5842229 0.77 HTR2C (0.40)
SCHEMBL6592649 0.76 PPOX (0.47) ALDH1A1KDM4EHPGDTDP1LMNA
SCHEMBL5844611 0.75 CSNK2A1 (0.45) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL5844789 0.73 L3MBTL1 (0.44) ALDH1A1KDM4EHPGDTDP1MEN1
SCHEMBL1531130 0.73 LMNA (0.42) HPGDLMNAMEN1KMT2A
SCHEMBL5843340 0.73 TSHR (0.38) ALDH1A1TDP1LMNAMEN1KMT2A
SCHEMBL718547 0.71 NPC1 (0.41) ALDH1A1KDM4EHPGDLMNAMEN1
SCHEMBL8880223 0.70 LMNA (0.36) ALDH1A1KDM4EHPGDTDP1LMNA

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
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-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 ALDH1A1 138/4885KDM4E 2151/4885HPGD 1656/4885
US-20030144522-A1 Substituted N-aryl nitrogen-containing heterocyclic compounds NAT1, CYP1B1, CYP1A1 ALDH1A1 138/4885KDM4E 2151/4885HPGD 1656/4885

“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.