SCHEMBL5580331

SCHEMBL5580331

CN(C(=O)C(=O)Cl)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.52
KMT2A Q03164 3/20 0.47
KDM4E B2RXH2 1/20 0.47
FAAH O00519 1/20 0.45
PHGDH O43175 1/20 0.45
MGLL Q99685 1/20 0.45
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
LMNA P02545 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
EGFR P00533 1/20 0.44
ERBB2 P04626 1/20 0.44
HTT P42858 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MAOA P21397 1/20 0.42
PKM P14618 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 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
SCHEMBL17704773 0.86 KMT2A (0.53) POLBKMT2AKDM4EFAAHPHGDH
SCHEMBL9456596 0.82 KMT2A (0.50) POLBKMT2AKDM4EFAAHPHGDH
SCHEMBL61173 0.82 POLB (0.55) POLBKMT2AKDM4EFAAHPHGDH
SCHEMBL31339223 0.80 HTT (0.49) POLBKMT2AKDM4EFAAHPHGDH
SCHEMBL5794581 0.78 KMT2A (0.47) POLBKMT2AKDM4EFAAHPHGDH
SCHEMBL6354517 0.77 NPSR1 (0.58) POLBKMT2AL3MBTL1HTTNPSR1
SCHEMBL194085 0.77 HTT (0.46) POLBKMT2AKDM4EFAAHPHGDH
SCHEMBL320116 0.77 POLB (0.59) POLBKMT2AKDM4EFAAHPHGDH
SCHEMBL455438 0.77 KMT2A (0.53) POLBKMT2AKDM4EFAAHPHGDH
SCHEMBL24896437 0.75 PLAU (0.51) POLBKMT2AKDM4EFAAHPHGDH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112979629-B Oxime derivatives and application thereof in agriculture 东莞市东阳光农药研发有限公司 2024-04-26 CN disclosed
CN-112979628-B Diphenyl ether substituted oxime derivative and its application in agriculture 东莞市东阳光农药研发有限公司 2024-04-26 CN disclosed
CN-112110911-B 1,3, 4-Oxadiazole oxime derivative and preparation method and application thereof 东莞市东阳光农药研发有限公司 2024-04-26 CN disclosed
CN-112979633-B Novel oxime derivative, preparation method and application thereof 东莞市东阳光农药研发有限公司 2024-02-02 CN disclosed
CN-114685393-A Novel oxime derivative, preparation method thereof and application thereof in agriculture 东莞市东阳光农药研发有限公司 2022-07-01 CN disclosed
CN-114195763-A Benzoyl oxy substituted oxime derivative and application thereof 东莞市东阳光农药研发有限公司 2022-03-18 CN disclosed
CN-112979633-A Oxime derivatives, their preparation and use 东莞市东阳光农药研发有限公司 2021-06-18 CN disclosed
CN-112979628-A Oxime derivative substituted by diphenyl ether and application thereof in agriculture 东莞市东阳光农药研发有限公司 2021-06-18 CN disclosed
CN-112979629-A Oxime derivatives and application thereof in agriculture 东莞市东阳光农药研发有限公司 2021-06-18 CN disclosed
CN-112110911-A 1,3, 4-oxadiazole oxime derivative and preparation method and application thereof 东莞市东阳光农药研发有限公司 2020-12-22 CN disclosed
CN-110914261-B Oxadiazole oxime derivative and application thereof in agriculture 东莞市东阳光农药研发有限公司 2020-11-24 CN disclosed
CN-103087022-B Oxalyl-substituted-3-aryltetronate compounds, and preparations and applications thereof UNIV NANKAI 2015-06-10 CN disclosed
US-7276511-B2 Benzylamine derivative ZERIA PHARMACEUTICAL CO., LTD. (JP) 2007-10-02 US disclosed
US-7276511-B2 Benzylamine derivative ZERIA PHARMACEUTICAL CO., LTD. (JP) 2007-10-02 US disclosed
US-7276511-B2 Benzylamine derivative ZERIA PHARMACEUTICAL CO., LTD. (JP) 2007-10-02 US disclosed
US-20060194841-A1 E.g., N-{2-(3,4-dichlorophenyl)-2-[(3,3-diphenylpropionyl)-methylamino]-4-{spiro[benzo(c)thiophene-1(3H),4'-piperidine]-(2S)-oxide}-1'-yl-butyl}-3,3,3-trifluoro-N-methyl-propionamide hydrochloride, NK-1 or NK-2 receptor antagonists; irritable bowel syndrome, pain, anxiety, COPD, headaches and vomiting ZERIA PHARMACEUTICAL CO., LTD. (JP) 2006-08-31 US disclosed
EP-1650189-A1 BENZYLAMINE DERIVATIVE Zeria Pharmaceutical Co., Ltd. (JP) 2006-04-26 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 (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-20060194841-A1 E.g., N-{2-(3,4-dichlorophenyl)-2-[(3,3-diphenylpropionyl)-methylamino]-4-{spiro[benzo(c)thiophene-1(3H),4'-piperidine]-(2S)-oxide}-1'-yl-butyl}-3,3,3-trifluoro-N-methyl-propionamide hydrochloride, NK-1 or NK-2 receptor antagonists; irritable bowel syndrome, pain, anxiety, COPD, headaches and vomiting KCNAB1, BDKRB2, ARRB1 POLB 1758/4885KMT2A 499/4885KDM4E 1588/4885

“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.