SCHEMBL11201725

SCHEMBL11201725

CN(C)C(=O)c1ccc(Cl)s1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.59
F2 P00734 1/20 0.57
DAO P14920 1/20 0.57
GAA P10253 2/20 0.56
KDM4E B2RXH2 2/20 0.56
GSK3B P49841 1/20 0.52
MAPK1 P28482 2/20 0.51
HPGD P15428 4/20 0.46
KMT2A Q03164 5/20 0.43
RAB9A P51151 4/20 0.43
MEN1 O00255 3/20 0.43
NPC1 O15118 3/20 0.43
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
HTT P42858 1/20 0.42
BCHE P06276 1/20 0.42
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42

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
SCHEMBL6169358 0.81 ALDH1A1 (0.50) ALDH1A1F2DAOGAAKDM4E
SCHEMBL22652241 0.79 F2 (0.52) ALDH1A1F2GAAKDM4EHPGD
SCHEMBL7886044 0.79 NPC1 (0.41) ALDH1A1DAOGAAKDM4EGSK3B
SCHEMBL29273236 0.78 POLB (0.54) ALDH1A1F2DAOGAAKDM4E
SCHEMBL7499158 0.77 F2 (0.55) ALDH1A1F2DAOGAAKDM4E
SCHEMBL7893713 0.77 DAO (0.54) ALDH1A1DAOHPGDKMT2ARAB9A
SCHEMBL11203075 0.77 DAO (0.59) ALDH1A1DAOGAAHPGDKMT2A
SCHEMBL11170246 0.77 GSK3B (0.52) ALDH1A1GAAKDM4EGSK3BHPGD
SCHEMBL3492 0.76
SCHEMBL3192929 0.75 CES2 (0.59) ALDH1A1DAOGAAKDM4EGSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108658816-B N-aryl amidine substituted trifluoroethyl sulfide derivatives useful as acaricides and insecticides 拜尔农作物科学股份公司 2023-05-02 CN disclosed
EP-3395171-A1 N-ARYLAMIDINE-SUBSTITUTED TRIFLUOROETHYLSULFIDE DERIVATIVES AS ACARICIDES AND INSECTICIDES Bayer CropScience Aktiengesellschaft (DE) 2018-10-31 EP disclosed
US-10051861-B2 N-arylamidine-substituted trifluoroethyl sulfide derivatives as acaricides and insecticides BAYER CROPSCIENCE AG (DE) 2018-08-21 US disclosed
EP-2793578-B1 N-ARYLAMIDINE-SUBSTITUTED TRIFLUOROETHYLSULFIDE DERIVATIVES AS ACARICIDES AND INSECTICIDES BAYER CROPSCIENCE AG (DE) 2018-06-06 EP disclosed
EP-2793578-B1 N-ARYLAMIDINE-SUBSTITUTED TRIFLUOROETHYLSULFIDE DERIVATIVES AS ACARICIDES AND INSECTICIDES BAYER CROPSCIENCE AG (DE) 2018-06-06 EP disclosed
US-9642363-B2 N-arylamidine-substituted trifluoroethyl sulfide derivatives as acaricides and insecticides BAYER CROPSCIENCE AG (DE) 2017-05-09 US disclosed
US-9642363-B2 N-arylamidine-substituted trifluoroethyl sulfide derivatives as acaricides and insecticides BAYER CROPSCIENCE AG (DE) 2017-05-09 US disclosed
US-9642363-B2 N-arylamidine-substituted trifluoroethyl sulfide derivatives as acaricides and insecticides BAYER CROPSCIENCE AG (DE) 2017-05-09 US disclosed
US-20170057914-A1 N-ARYLAMIDINE-SUBSTITUTED TRIFLUOROETHYL SULFIDE DERIVATIVES AS ACARICIDES AND INSECTICIDES BAYER CROPSCIENCE AG 2017-03-02 US disclosed
US-20170057914-A1 N-ARYLAMIDINE-SUBSTITUTED TRIFLUOROETHYL SULFIDE DERIVATIVES AS ACARICIDES AND INSECTICIDES BAYER CROPSCIENCE AG 2017-03-02 US disclosed
US-20140315898-A1 N-ARYLAMIDINE-SUBSTITUTED TRIFLUOROETHYL SULFIDE DERIVATIVES AS ACARICIDES AND INSECTICIDES BAYER CROPSCIENCE AG (DE) 2014-10-23 US disclosed
US-20140315898-A1 N-ARYLAMIDINE-SUBSTITUTED TRIFLUOROETHYL SULFIDE DERIVATIVES AS ACARICIDES AND INSECTICIDES BAYER CROPSCIENCE AG (DE) 2014-10-23 US disclosed
WO-2013092350-A1 N-ARYLAMIDINE-SUBSTITUTED TRIFLUOROETHYL SULFIDE DERIVATIVES AS ACARICIDES AND INSECTICIDES BAYER CROPSCIENCE AG (DE) 2013-06-27 WO disclosed
WO-2013092350-A1 N-ARYLAMIDINE-SUBSTITUTED TRIFLUOROETHYL SULFIDE DERIVATIVES AS ACARICIDES AND INSECTICIDES BAYER CROPSCIENCE AG (DE) 2013-06-27 WO disclosed
US-4410534-A 3-Substituted-5,6,7,8-tetrahydropyrrolo[1,2-a]-pyridine-and 6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]-azepine carboxylic acid derivatives useful as blood platelet aggregation inhibitors SYNTEX (U.S.A.) INC. (US) 1983-10-18 US disclosed
US-4344943-A ANALGESICS, ANTIINFLAMMATORY AGENTS SYNTEX (U.S.A.) INC. (US) 1982-08-17 US disclosed
EP-0000649-B1 5-SUBSTITUTED-1,2-DIHYDRO-3H-PYRROLO(1,2-A)PYRROLE-1-CARBONITRILES AND PROCESS FOR THEIR CONVERSION TO THE CORRESPONDING 1-CARBOXYLIC ACIDS SYNTEX (U.S.A.) INC. (US) 1981-03-25 EP disclosed
US-4140698-A 1,2-Dihydro-3H-pyrrolo[1,2-a]pyrrole-1-nitriles SYNTEX (USA) INC. (US) 1979-02-20 US disclosed
EP-0000649-A1 5-substituted-1,2-dihydro-3H-pyrrolo(1,2-a)pyrrole-1-carbonitriles and process for their conversion to the corresponding 1-carboxylic acids SYNTEX (U.S.A.) INC. (US) 1979-02-07 EP disclosed
US-4087539-A ANTIINFLAMMATORY AGENTS, ANALGESICS, ANTIPYRETICS, SMOOTH MUSCLE RELAXANTS SYNTEX (U.S.A.) INC. (US) 1978-05-02 US 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-20140315898-A1 N-ARYLAMIDINE-SUBSTITUTED TRIFLUOROETHYL SULFIDE DERIVATIVES AS ACARICIDES AND INSECTICIDES AFF4, ARSA, AFF1 ALDH1A1 1348/4885F2 339/4885DAO 1243/4885
US-10051861-B2 N-arylamidine-substituted trifluoroethyl sulfide derivatives as acaricides and insecticides AFF4, AFF1, ARSA ALDH1A1 1313/4885F2 322/4885DAO 1164/4885
US-20170057914-A1 N-ARYLAMIDINE-SUBSTITUTED TRIFLUOROETHYL SULFIDE DERIVATIVES AS ACARICIDES AND INSECTICIDES AFF4, ARSA, AFF1 ALDH1A1 1348/4885F2 339/4885DAO 1243/4885

“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.