SCHEMBL22955378

SCHEMBL22955378

COc1cc(OC)nc(Sc2cccc(Cl)c2C(=O)O/N=C(\C)c2ccc([N+](=O)[O-])cc2)n1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
AHR P35869 1/20 0.42
XDH P47989 1/20 0.42
NPC1 O15118 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
RAB9A P51151 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
SCHEMBL29638146 0.92 NPC1 (0.46) MAPTMEN1KMT2ANPC1SMN1; SMN2
SCHEMBL22954806 0.92 NPC1 (0.46) MAPTMEN1KMT2ANPC1SMN1; SMN2
SCHEMBL22954803 0.88 CYP1A2 (0.41) LMNA
SCHEMBL23665983 0.88 MAPT (0.45) MAPTLMNA
SCHEMBL22955348 0.87 CA12 (0.43) RAB9A
SCHEMBL23666476 0.85 USP7 (0.33) NPC1RAB9A
SCHEMBL22954869 0.85 NPC1 (0.40) MAPTNPC1LMNARAB9A
SCHEMBL22955380 0.85 MAPT (0.41) MAPTKMT2ALMNA
SCHEMBL28820348 0.84 ALOX5 (0.40) MAPTSMN1; SMN2
SCHEMBL22955321 0.83 NPC1 (0.43) MAPTNPC1SMN1; SMN2LMNAHPGD

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 MAPT 3676/4885MEN1 4616/4885KMT2A 3427/4885
US-20210221773-A1 Preparation Method of Pyrimidinylthio-benzoate Oxime Ester Compound and Application thereof as Herbicide ADH1C, ADH1A, AQP4 MAPT 3637/4885MEN1 4630/4885KMT2A 3387/4885

“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.