SCHEMBL17859581

SCHEMBL17859581

CC(=O)COc1ccc(Cl)c2cccnc12

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.74
KDM4E B2RXH2 9/20 0.70
CYP3A4 P08684 1/20 0.70
ALOX12 P18054 1/20 0.70
TDP1 Q9NUW8 1/20 0.70
MAPT P10636 4/20 0.64
SMN1; SMN2 Q16637 2/20 0.64
GAA P10253 2/20 0.61
MAPK1 P28482 1/20 0.56
HTT P42858 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
HSP90AA1 P07900 2/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
CCR6 P51684 1/20 0.54
ALDH1A1 P00352 3/20 0.53
KMT2A Q03164 2/20 0.53
HSD17B10 Q99714 2/20 0.53
MEN1 O00255 1/20 0.53
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51

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
SCHEMBL342125 0.91 PKM (0.66) PKMKDM4ECYP3A4ALOX12TDP1
SCHEMBL30026873 0.91 PKM (0.66) PKMKDM4ECYP3A4ALOX12TDP1
SCHEMBL137002 0.87 PKM (0.71) PKMKDM4ECYP3A4ALOX12TDP1
SCHEMBL29490828 0.87 PKM (0.71) PKMKDM4ECYP3A4ALOX12TDP1
SCHEMBL9282523 0.87 PKM (0.71) PKMKDM4ECYP3A4ALOX12TDP1
SCHEMBL29452815 0.86 PKM (0.74) PKMKDM4ECYP3A4ALOX12TDP1
SCHEMBL1153422 0.86 PKM (0.74) PKMKDM4ECYP3A4ALOX12TDP1
Water SCHEMBL6469488 0.86 PKM (0.70) PKMKDM4ECYP3A4ALOX12TDP1
SCHEMBL7187750 0.86 PKM (0.70) PKMKDM4ECYP3A4ALOX12TDP1
Ammonia Solution, Strong SCHEMBL7175009 0.86 PKM (0.70) PKMKDM4ECYP3A4ALOX12TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3235799-B1 OXIME COMPOUND AND HERBICIDE NISSAN CHEMICAL CORP (JP) 2022-02-23 EP disclosed
US-20190053488-A1 KETONE OR OXIME COMPOUND, AND HERBICIDE NISSAN CHEMICAL CORPORATION (JP) 2019-02-21 US disclosed
US-20170354146-A1 SAFENING 4-AMINO-3-CHLORO-6-(4-CHLORO-2-FLUORO-3-METHOXYPHENYL)-5-FLUOROPYRIDINE-2-CARBOXYLIC ACID COMPOSITIONS IN BRASSICA SPECIES AND METHODS OF USE THEREOF DOW AGROSCIENCES LLC (US) 2017-12-14 US disclosed
US-20170354148-A1 SAFENED HERBICIDAL COMPOSITIONS CONTAINING HALAUXIFEN AND METHODS OF USE THEREOF IN BRASSICA SPECIES DOW AGROSCIENCES LLC (US) 2017-12-14 US disclosed
US-20170347647-A1 KETONE OR OXIME COMPOUND, AND HERBICIDE NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2017-12-07 US disclosed
US-20170347647-A1 KETONE OR OXIME COMPOUND, AND HERBICIDE NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2017-12-07 US disclosed
EP-3235799-A1 KETONE OR OXIME COMPOUND, AND HERBICIDE Nissan Chemical Industries, Ltd. (JP) 2017-10-25 EP disclosed
WO-2016098899-A1 KETONE OR OXIME COMPOUND, AND HERBICIDE 日産化学工業株式会社 2016-06-23 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 (4 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-20170354148-A1 SAFENED HERBICIDAL COMPOSITIONS CONTAINING HALAUXIFEN AND METHODS OF USE THEREOF IN BRASSICA SPECIES HACL2, BROX, HDHD5 PKM 4269/4885KDM4E 2376/4885CYP3A4 1599/4885
US-20170354146-A1 SAFENING 4-AMINO-3-CHLORO-6-(4-CHLORO-2-FLUORO-3-METHOXYPHENYL)-5-FLUOROPYRIDINE-2-CARBOXYLIC ACID COMPOSITIONS IN BRASSICA SPECIES AND METHODS OF USE THEREOF CIP2A, CASP2, BROX PKM 4324/4885KDM4E 1228/4885CYP3A4 731/4885
US-20190053488-A1 KETONE OR OXIME COMPOUND, AND HERBICIDE OR10J3, CYP1B1, CBR3 PKM 1928/4885KDM4E 437/4885CYP3A4 199/4885
US-20170347647-A1 KETONE OR OXIME COMPOUND, AND HERBICIDE OR10J3, CYP1B1, CBR3 PKM 1928/4885KDM4E 437/4885CYP3A4 199/4885

“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.