SCHEMBL5842945

SCHEMBL5842945

CCOC(=O)C=Cc1c[c]c(F)cc1C#N

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.39
DPP4 P27487 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
CYP3A4 P08684 2/20 0.38
NR1H4 Q96RI1 2/20 0.38
ESR1 P03372 1/20 0.37
EPAS1 Q99814 1/20 0.37
MAOB P27338 1/20 0.36
CNKSR1 Q969H4 1/20 0.36
FDPS P14324 1/20 0.35
CCNC P24863 2/20 0.35
CDK8 P49336 2/20 0.35
HSD17B1 P14061 1/20 0.35
HSD17B2 P37059 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
SCHEMBL5842941 1.00 TTR (0.39) TTRDPP4CA12CA1CA2
SCHEMBL6594298 0.86 ALDH1A1 (0.40) TTRCA12CA1CA2CA7
SCHEMBL6594293 0.86 ALDH1A1 (0.40) TTRCA12CA1CA2CA7
SCHEMBL6592655 0.81 TTR (0.42) TTRDPP4CA12CA1CA2
SCHEMBL6592653 0.81 TTR (0.42) TTRDPP4CA12CA1CA2
SCHEMBL16218971 0.80 TTR (0.46) TTRDPP4CA12CA1CA2
SCHEMBL11353377 0.80 TTR (0.44) TTRDPP4CA12CA1CA2
SCHEMBL11353373 0.80 TTR (0.44) TTRDPP4CA12CA1CA2
SCHEMBL23201588 0.79 TTR (0.46) TTRDPP4CA12CA1CA2
SCHEMBL14970287 0.76 FDPS (0.52) TTRDPP4CA12CA1CA2

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7012041-B2 Phenylpyridazinones BAYER AG (DE) 2006-03-14 US disclosed
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-20030119673-A1 Phenylpyridazinones LINKER KARL-HEINZ (DE) 2003-06-26 US disclosed
US-6551963-B1 For controlling unwanted vegetation BAYER AKTIENGESELLSCHAFT (DE) 2003-04-22 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-6159903-A Substituted 2-aryl-1,2,4-triazine-3,5-di(thi)ones as herbicides BAYER AKTIENGESELLSCHAFT (DE) 2000-12-12 US disclosed
WO-2000008000-A1 USE OF SUBSTITUTED TRIAZINONES AS HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 2000-02-17 WO disclosed
WO-1999052878-A1 SUBSTITUTED PHENYL PYRIDAZINONES BAYER AKTIENGESELLSCHAFT (DE) 1999-10-21 WO disclosed
EP-0882027-A1 SUBSTITUTED 2-ARYL-1,2,4-TRIAZINE-3,5-DI(THI)ONES AS HERBICIDES BAYER AG (DE) 1998-12-09 EP disclosed
EP-0832072-A1 PHENYLPYRIDAZINONES BAYER AG (DE) 1998-04-01 EP disclosed
EP-0797573-A1 3-ARYL-1,2,4-TRIAZOLE DERIVATIVES WITH HERBICIDAL PROPERTIES BAYER AG (DE) 1997-10-01 EP disclosed
WO-1997030980-A1 SUBSTITUTED 2-ARYL-1,2,4-TRIAZINE-3,5-DI(THI)ONES AS HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-08-28 WO disclosed
WO-1997026248-A1 SUBSTITUTED N-ARYL NITROGEN HETEROCYCLIC COMPOUNDS AND THEIR USE AS HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-07-24 WO disclosed
WO-1996039392-A1 PHENYLPYRIDAZINONES BAYER AKTIENGESELLSCHAFT (DE) 1996-12-12 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 (3 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 TTR 2179/4885DPP4 2918/4885CA12 3547/4885
US-20030119673-A1 Phenylpyridazinones CYP2D6, CYP1A1, CYP1B1 TTR 3033/4885DPP4 259/4885CA12 4704/4885
US-20030144522-A1 Substituted N-aryl nitrogen-containing heterocyclic compounds NAT1, CYP1B1, CYP1A1 TTR 2179/4885DPP4 2918/4885CA12 3547/4885

“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.