SCHEMBL22954869

SCHEMBL22954869

COc1cc(OC)nc(Sc2cccc(Cl)c2C(=O)O/N=C(\C)c2ccccc2[N+](=O)[O-])n1

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
MAPK1 P28482 1/20 0.40
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL22954800 0.86 NPSR1 (0.39)
SCHEMBL22954859 0.85 CYP1A2 (0.39)
SCHEMBL22955378 0.85 MAPT (0.42) NPC1RAB9ALMNAMAPT
SCHEMBL23666561 0.85 USP7 (0.33)
SCHEMBL29638146 0.84 NPC1 (0.46) NPC1RAB9ALMNAMAPT
SCHEMBL22954806 0.84 NPC1 (0.46) NPC1RAB9ALMNAMAPT
SCHEMBL23665983 0.83 MAPT (0.45) LMNAMAPT
SCHEMBL22954863 0.83 NPC1 (0.40) NPC1RAB9A
SCHEMBL28820329 0.82 MAPT (0.38) MAPT
SCHEMBL23666492 0.81 NPSR1 (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11834420-B2 Preparation method of pyrimidinylthio-benzoate oxime ester compound and application thereof as herbicide Changzhou University (CN) 2023-12-05 US claimed
CN-110317177-B Preparation method of pyrimidine salicylic acid oxime ester compound and application of pyrimidine salicylic acid oxime ester compound as herbicide 常州大学 2022-05-17 CN claimed
US-20210221773-A1 Preparation Method of Pyrimidinylthio-benzoate Oxime Ester Compound and Application thereof as Herbicide Changzhou University (CN) 2021-07-22 US claimed
US-11834420-B2 Preparation method of pyrimidinylthio-benzoate oxime ester compound and application thereof as herbicide Changzhou University (CN) 2023-12-05 US disclosed
US-11834420-B2 Preparation method of pyrimidinylthio-benzoate oxime ester compound and application thereof as herbicide Changzhou University (CN) 2023-12-05 US disclosed
CN-110317177-B Preparation method of pyrimidine salicylic acid oxime ester compound and application of pyrimidine salicylic acid oxime ester compound as herbicide 常州大学 2022-05-17 CN disclosed
US-20210221773-A1 Preparation Method of Pyrimidinylthio-benzoate Oxime Ester Compound and Application thereof as Herbicide Changzhou University (CN) 2021-07-22 US disclosed
US-20210221773-A1 Preparation Method of Pyrimidinylthio-benzoate Oxime Ester Compound and Application thereof as Herbicide Changzhou University (CN) 2021-07-22 US disclosed
WO-2021017597-A1 METHOD FOR PREPARING PYRIMIDINE SALICYLIC ACID OXIME ESTER COMPOUND AND USE THEREOF AS HERBICIDE 常州大学 2021-02-04 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 (2 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-11834420-B2 Preparation method of pyrimidinylthio-benzoate oxime ester compound and application thereof as herbicide ADH1C, ADH1A, AQP4 NPC1 4763/4885RAB9A 4538/4885MAPK1 1945/4885
US-20210221773-A1 Preparation Method of Pyrimidinylthio-benzoate Oxime Ester Compound and Application thereof as Herbicide ADH1C, ADH1A, AQP4 NPC1 4768/4885RAB9A 4523/4885MAPK1 2085/4885

“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.