SCHEMBL22955321

SCHEMBL22955321

COc1cc(OC)nc(Sc2cccc(Cl)c2C(=O)O/N=C(\C)c2cccc(C)c2)n1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
LMNA P02545 1/20 0.43
ADORA3 P0DMS8 1/20 0.42
MAPT P10636 2/20 0.41
ALOX15 P16050 1/20 0.41
CYP1A2 P05177 1/20 0.41
GAA P10253 1/20 0.41
CYP2C19 P33261 1/20 0.41
PKM P14618 1/20 0.39
HPGD P15428 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
SCHEMBL29638148 1.00 NPC1 (0.43) NPC1RAB9ASMN1; SMN2L3MBTL1LMNA
SCHEMBL22954803 0.91 CYP1A2 (0.41) L3MBTL1LMNACYP1A2
SCHEMBL23665983 0.91 MAPT (0.45) LMNAMAPTPKM
SCHEMBL29638152 0.90 NPC1 (0.37) NPC1RAB9APKM
SCHEMBL22954807 0.90 NPC1 (0.37) NPC1RAB9APKM
SCHEMBL22954799 0.87 KMT2A (0.46) NPC1RAB9ASMN1; SMN2MAPTHPGD
SCHEMBL29638150 0.87 KMT2A (0.46) NPC1RAB9ASMN1; SMN2MAPTHPGD
SCHEMBL22955348 0.86 CA12 (0.43) RAB9ACYP1A2
SCHEMBL22954806 0.86 NPC1 (0.46) NPC1RAB9ASMN1; SMN2L3MBTL1LMNA
SCHEMBL29638146 0.86 NPC1 (0.46) NPC1RAB9ASMN1; SMN2L3MBTL1LMNA

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 12 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
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-114773276-B Pyrithiobac-sodium aldoxime ester herbicide and preparation method thereof 常州大学 2023-07-25 CN disclosed
CN-114773276-A Pyriminosulfether aldoxime ester herbicide and preparation method thereof 常州大学 2022-07-22 CN 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 4538/4885SMN1; SMN2 1150/4885
US-20210221773-A1 Preparation Method of Pyrimidinylthio-benzoate Oxime Ester Compound and Application thereof as Herbicide ADH1C, ADH1A, AQP4 NPC1 4768/4885RAB9A 4523/4885SMN1; SMN2 1164/4885

“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.