SCHEMBL166108

SCHEMBL166108

CCOC(=O)C1(C)CC(C)=NN1c1ccc(Cl)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.47
GABRA2 P47869 8/20 0.43
GABRB2 P47870 8/20 0.43
OPRM1 P35372 1/20 0.42
OPRD1 P41143 1/20 0.42
OPRK1 P41145 1/20 0.42
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
MAPK1 P28482 2/20 0.41
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
SLC5A1 P13866 1/20 0.39
SLC5A2 P31639 1/20 0.39
ADCY8 P40145 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
SCHEMBL21153068 0.88 GABRA2 (0.46) SMN1; SMN2GABRA2GABRB2ALDH1A1MEN1
SCHEMBL29419101 0.88 GABRA2 (0.42) SMN1; SMN2GABRA2GABRB2OPRM1OPRD1
SCHEMBL7637001 0.88 GABRA2 (0.46) SMN1; SMN2GABRA2GABRB2ALDH1A1MEN1
SCHEMBL23722 0.88 GABRA2 (0.46) SMN1; SMN2GABRA2GABRB2ALDH1A1MEN1
SCHEMBL694156 0.88 GABRA2 (0.42) SMN1; SMN2GABRA2GABRB2OPRM1OPRD1
SCHEMBL29687006 0.88 GABRA2 (0.46) SMN1; SMN2GABRA2GABRB2ALDH1A1MEN1
SCHEMBL844363 0.87 GABRA2 (0.41) SMN1; SMN2GABRA2GABRB2OPRM1OPRD1
SCHEMBL6346187 0.86 GABRA2 (0.42) SMN1; SMN2GABRA2GABRB2ALDH1A1MEN1
SCHEMBL844382 0.86 GABRA2 (0.41) SMN1; SMN2GABRA2GABRB2OPRM1OPRD1
Butane SCHEMBL19283706 0.86 GABRA2 (0.44) SMN1; SMN2GABRA2GABRB2ALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3720853-A1 3-AMINO-[1,2,4]-TRIAZOLE DERIVATIVES AND THEIR USE FOR CONTROLLING UNDESIRED PLANT GROWTH Bayer CropScience Aktiengesellschaft (DE) 2020-10-14 EP disclosed
EP-3606915-A1 2-AMINO-5-OXYALKYL-PYRIMIDINE DERIVATIVES AND THEIR USE FOR CONTROLLING UNDESIRED PLANT GROWTH Bayer CropScience Aktiengesellschaft (DE) 2020-02-12 EP disclosed
WO-2019110398-A1 3-AMINO-[1,2,4]-TRIAZOLE DERIVATIVES AND THEIR USE FOR CONTROLLING UNDESIRED PLANT GROWTH BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2019-06-13 WO disclosed
WO-2018184978-A1 2-AMINO-5-OXYALKYL-PYRIMIDINE DERIVATIVES AND THEIR USE FOR CONTROLLING UNDESIRED PLANT GROWTH BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-10-11 WO disclosed
WO-2018146079-A1 SUBSTITUTED BENZYL-4-AMINOPICOLINIC ESTERS AND PYRIMIDINO-4-CARBOXYLIC ESTERS, METHODS FOR THE PRODUCTION THEREOF, AND USE THEREOF AS HERBICIDES AND PLANT GROWTH REGULATORS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-08-16 WO disclosed
EP-2611300-A1 SUBSTITUTED FUSED PYRIMIDINONES AND DIHYDROPYRIMIDINONES Bayer Intellectual Property GmbH (DE) 2013-07-10 EP disclosed
EP-2547204-A2 ARYL AND HETARYL SULFONAMIDES AS ACTIVE AGENTS AGAINST ABIOTIC PLANT STRESS Bayer Intellectual Property GmbH (DE) 2013-01-23 EP disclosed
EP-2542533-A1 FLUOROALKYL-SUBSTITUTED 2-AMIDOBENZIMIDAZOLES AND THE USE THEREOF FOR BOOSTING STRESS TOLERANCE IN PLANTS Bayer Intellectual Property GmbH (DE) 2013-01-09 EP disclosed
EP-2534147-A1 SPIROHETEROCYCLICAL SUBSTITUTED TETRAMIC ACID DERIVATIVES Bayer Intellectual Property GmbH (DE) 2012-12-19 EP disclosed
WO-2012028578-A1 SUBSTITUTED FUSED PYRIMIDINONES AND DIHYDROPYRIMIDINONES BAYER CROPSCIENCE AG (DE) 2012-03-08 WO disclosed
WO-2011113861-A2 ARYL AND HETARYL SULFONAMIDES AS ACTIVE AGENTS AGAINST ABIOTIC PLANT STRESS BAYER CROPSCIENCE AG (DE) 2011-09-22 WO disclosed
WO-2011107504-A1 FLUOROALKYL-SUBSTITUTED 2-AMIDOBENZIMIDAZOLES AND THE USE THEREOF FOR BOOSTING STRESS TOLERANCE IN PLANTS BAYER CROPSCIENCE AG (DE) 2011-09-09 WO disclosed
WO-2011098443-A1 SPIROHETEROCYCLICAL SUBSTITUTED TETRAMIC ACID DERIVATIVES BAYER CROPSCIENCE AG (DE) 2011-08-18 WO disclosed
US-20110190126-A1 WEED CONTROL METHOD AND HERBICIDAL COMPOSITION SYNGENTA CROP PROTECTION, INC. (US) 2011-08-04 US disclosed
EP-1725106-A1 METHOD FOR COMBATING WEEDS Bayer CropScience AG (DE) 2006-11-29 EP disclosed
WO-2005087006-A1 METHOD FOR COMBATING WEEDS BAYER CROPSCIENCE AG (DE) 2005-09-22 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 (1 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-20110190126-A1 WEED CONTROL METHOD AND HERBICIDAL COMPOSITION HEXB, GUSB, MGAM SMN1; SMN2 3977/4885GABRA2 1848/4885GABRB2 665/4885

“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.