SCHEMBL779128

SCHEMBL779128

CCOC(=O)c1oc(Cl)nc1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TARBP2 Q15633 1/20 0.42
ALDH1A1 P00352 3/20 0.41
LMNA P02545 2/20 0.41
KDM4E B2RXH2 4/20 0.41
CYP1A2 P05177 1/20 0.41
NPC1 O15118 3/20 0.40
MAPT P10636 3/20 0.40
MAPK1 P28482 2/20 0.40
HSD17B10 Q99714 2/20 0.40
TP53 P04637 1/20 0.40
XBP1 P17861 1/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TLR9 Q9NR96 1/20 0.40
FBP1 P09467 1/20 0.40
PDE4D Q08499 1/20 0.40
RAB9A P51151 3/20 0.39
PKM P14618 1/20 0.39
AHR P35869 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL3416276 0.81 ALDH1A1 (0.58) ALDH1A1LMNAKDM4ENPC1MAPT
SCHEMBL3274432 0.81 MAPT (0.47) TARBP2ALDH1A1LMNAKDM4ECYP1A2
SCHEMBL21177306 0.80 PLK1 (0.43) TARBP2ALDH1A1KDM4ECYP1A2NPC1
SCHEMBL9750624 0.79 KDM4E (0.45) TARBP2ALDH1A1KDM4ECYP1A2MAPT
SCHEMBL11164366 0.79 TARBP2 (0.42) TARBP2ALDH1A1LMNAKDM4ECYP1A2
SCHEMBL781841 0.79 FBP1 (0.56) ALDH1A1LMNAKDM4ECYP1A2NPC1
SCHEMBL9750715 0.79 CYP1A2 (0.41) TARBP2ALDH1A1LMNAKDM4ECYP1A2
SCHEMBL25369787 0.77 CYP1A2 (0.40) TARBP2ALDH1A1LMNAKDM4ECYP1A2
SCHEMBL3822181 0.76 FBP1 (0.41) ALDH1A1LMNAKDM4ECYP1A2NPC1
SCHEMBL20378301 0.76 ALDH1A1 (0.41) TARBP2ALDH1A1LMNAKDM4ECYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0027020-B1 2-SUBSTITUTED-4-ALKYL OR TRIHALOALKYL-5-OXAZOLECARBOXYLIC ACID DERIVATIVES, THEIR USE AS SAFENING AGENTS AND HERBICIDAL COMPOSITIONS CONTAINING THEM MONSANTO COMPANY (US) 1983-04-13 EP claimed
US-4360678-A PLANT SAFENING AGENT MONSANTO COMPANY (US) 1982-11-23 US claimed
EP-0027020-A1 2-Substituted-4-alkyl or trihaloalkyl-5-oxazolecarboxylic acid derivatives, their use as safening agents and herbicidal compositions containing them MONSANTO COMPANY (US) 1981-04-15 EP claimed
EP-4522606-A1 INHIBITORS OF HUMAN RESPIRATORY SYNCYTIAL VIRUS AND METAPNEUMOVIRUS Merck Sharp & Dohme LLC (US) 2025-03-19 EP disclosed
US-20230365531-A1 INHIBITORS OF HUMAN RESPIRATORY SYNCYTIAL VIRUS AND METAPNEUMO VIRUS MERCK SHARP & DOHME LLC (US) 2023-11-16 US disclosed
WO-2023220223-A1 INHIBITORS OF HUMAN RESPIRATORY SYNCYTIAL VIRUS AND METAPNEUMOVIRUS MERCK SHARP & DOHME LLC (US) 2023-11-16 WO disclosed
WO-2019142053-A2 THERAPEUTIC INHIBITORY COMPOUNDS LIFESCI PHARMACEUTICALS, INC. (BB) 2019-07-25 WO disclosed
WO-2019142053-A2 THERAPEUTIC INHIBITORY COMPOUNDS LIFESCI PHARMACEUTICALS, INC. (BB) 2019-07-25 WO disclosed
US-9987255-B2 5,5-bicyclic oxazole orexin receptor antagonists MERCK SHARP & DOHME CORP. (US) 2018-06-05 US disclosed
US-20170368035-A1 5,5-Bicyclic Oxazole Orexin Receptor Antagonists MERCK SHARP & DOHME LLC 2017-12-28 US disclosed
US-20170152263-A1 Substituted Indazole Compounds as IRAK4 Inhibitors AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2017-06-01 US disclosed
WO-2007146066-A2 NOVEL PIPERAZINES, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE THEREOF CRITICAL THERAPEUTICS, INC. (US) 2007-12-21 WO disclosed
US-6743814-B2 REACTING 4-BROMO-1,1,2-TRIFLUORO-1-BUTENE WITH 2-MERCAPTO-OXAZOLE NIHON BAYER AGROCHEM K.K. (JP) 2004-06-01 US disclosed
US-20030109563-A1 Combating nematodes characterized in that trifluorobutenes of the formula (I) are allowed to act on nematodes and/or their habitat. NIHON BAYER AGROCHIM K.K. (JP) 2003-06-12 US disclosed
EP-1263744-A1 NEMATICIDAL TRIFLUOROBUTENES NIHON BAYER AGROCHEM K.K. (JP) 2002-12-11 EP disclosed
WO-2001066529-A1 NEMATICIDAL TRIFLUOROBUTENES NIHON BAYER AGROCHEM K.K. (DE) 2001-09-13 WO disclosed
EP-0027020-B1 2-SUBSTITUTED-4-ALKYL OR TRIHALOALKYL-5-OXAZOLECARBOXYLIC ACID DERIVATIVES, THEIR USE AS SAFENING AGENTS AND HERBICIDAL COMPOSITIONS CONTAINING THEM MONSANTO COMPANY (US) 1983-04-13 EP disclosed
US-4360678-A PLANT SAFENING AGENT MONSANTO COMPANY (US) 1982-11-23 US disclosed
US-4303439-A ANTIDOTES TO REDUCE HERBICIDAL INJURY MONSANTO COMPANY (US) 1981-12-01 US disclosed
EP-0027020-A1 2-Substituted-4-alkyl or trihaloalkyl-5-oxazolecarboxylic acid derivatives, their use as safening agents and herbicidal compositions containing them MONSANTO COMPANY (US) 1981-04-15 EP 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 (4 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-20030109563-A1 Combating nematodes characterized in that trifluorobutenes of the formula (I) are allowed to act on nematodes and/or their habitat. NAT1, CNR1, CTRL TARBP2 3327/4885ALDH1A1 676/4885LMNA 2232/4885
US-20230365531-A1 INHIBITORS OF HUMAN RESPIRATORY SYNCYTIAL VIRUS AND METAPNEUMO VIRUS METAP1, SARS1, RTF1 TARBP2 402/4885ALDH1A1 4105/4885LMNA 2519/4885
US-20170368035-A1 5,5-Bicyclic Oxazole Orexin Receptor Antagonists HCRTR2, HCRTR1, NPY5R TARBP2 4583/4885ALDH1A1 2185/4885LMNA 3853/4885
US-20170152263-A1 Substituted Indazole Compounds as IRAK4 Inhibitors IRAK4, IRAK3, IRAK2 TARBP2 1874/4885ALDH1A1 1980/4885LMNA 2416/4885

“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.