SCHEMBL2643430

SCHEMBL2643430

CC(=O)Nc1cccc(Cn2ccc(NC(=O)/C(=N/OC3CCCC3)c3ccc(S(C)(=O)=O)c(Cl)c3)n2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
TSHR P16473 1/20 0.38
CACNA1I Q9P0X4 4/20 0.36
CACNA1G O43497 3/20 0.36
CACNA1H O95180 2/20 0.36
CACNA1C Q13936 1/20 0.36
MAPT P10636 3/20 0.35
RECQL P46063 1/20 0.35
ALDH1A1 P00352 5/20 0.34
NPC1 O15118 4/20 0.34
RAB9A P51151 4/20 0.34
SMN1; SMN2 Q16637 4/20 0.34
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
ACKR3 P25106 4/20 0.34
LMNA P02545 4/20 0.33
GCK P35557 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL2643432 1.00 MEN1 (0.38) MEN1KMT2ATSHRCACNA1ICACNA1G
SCHEMBL2644084 0.87 GCK (0.38) KMT2ACACNA1ICACNA1GCACNA1HCACNA1C
SCHEMBL2644078 0.87 GCK (0.38) KMT2ACACNA1ICACNA1GCACNA1HCACNA1C
SCHEMBL2643909 0.87 LMNA (0.37) MEN1KMT2ACACNA1ICACNA1GCACNA1H
SCHEMBL2643908 0.87 LMNA (0.37) MEN1KMT2ACACNA1ICACNA1GCACNA1H
SCHEMBL2643939 0.87 LMNA (0.37) MEN1KMT2ACACNA1ICACNA1GCACNA1H
SCHEMBL2643944 0.87 LMNA (0.37) MEN1KMT2ACACNA1ICACNA1GCACNA1H
SCHEMBL2643188 0.84 GCK (0.35) MAPTALDH1A1LMNAGCKMAPK1
SCHEMBL2643191 0.84 GCK (0.35) MAPTALDH1A1LMNAGCKMAPK1
SCHEMBL2643280 0.81 NPC1 (0.39) MAPTALDH1A1NPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7902248-B2 C-(Heteroarylaminocarbonyl)-3-phenyl-oxime, e.g., N-Benzothiazol-2-yl-2-(3-chloro-4-methanesulfonyl-phenyl)-2-isopropoxyiminoacetamide and 2-(3-Chloro-4-methanesulfonyl-phenyl)-2-cyclopentyloxyimino-N-(5-methyl-thiazol-2-yl)acetamide; treating metabolic diseases, especially type II diabetes mellitus HOFFMANN-LA ROCHE INC. (US) 2011-03-08 US claimed
US-20080146625-A1 C-(Heteroarylaminocarbonyl)-3-phenyl-oxime, e.g., N-Benzothiazol-2-yl-2-(3-chloro-4-methanesulfonyl-phenyl)-2-isopropoxyiminoacetamide and 2-(3-Chloro-4-methanesulfonyl-phenyl)-2-cyclopentyloxyimino-N-(5-methyl-thiazol-2-yl)acetamide; treating metabolic diseases, especially type II diabetes mellitus BERTHEL STEVEN JOSEPH 2008-06-19 US claimed
US-7902248-B2 C-(Heteroarylaminocarbonyl)-3-phenyl-oxime, e.g., N-Benzothiazol-2-yl-2-(3-chloro-4-methanesulfonyl-phenyl)-2-isopropoxyiminoacetamide and 2-(3-Chloro-4-methanesulfonyl-phenyl)-2-cyclopentyloxyimino-N-(5-methyl-thiazol-2-yl)acetamide; treating metabolic diseases, especially type II diabetes mellitus HOFFMANN-LA ROCHE INC. (US) 2011-03-08 US disclosed
US-7902248-B2 C-(Heteroarylaminocarbonyl)-3-phenyl-oxime, e.g., N-Benzothiazol-2-yl-2-(3-chloro-4-methanesulfonyl-phenyl)-2-isopropoxyiminoacetamide and 2-(3-Chloro-4-methanesulfonyl-phenyl)-2-cyclopentyloxyimino-N-(5-methyl-thiazol-2-yl)acetamide; treating metabolic diseases, especially type II diabetes mellitus HOFFMANN-LA ROCHE INC. (US) 2011-03-08 US disclosed
US-20080146625-A1 C-(Heteroarylaminocarbonyl)-3-phenyl-oxime, e.g., N-Benzothiazol-2-yl-2-(3-chloro-4-methanesulfonyl-phenyl)-2-isopropoxyiminoacetamide and 2-(3-Chloro-4-methanesulfonyl-phenyl)-2-cyclopentyloxyimino-N-(5-methyl-thiazol-2-yl)acetamide; treating metabolic diseases, especially type II diabetes mellitus BERTHEL STEVEN JOSEPH 2008-06-19 US disclosed
US-20080146625-A1 C-(Heteroarylaminocarbonyl)-3-phenyl-oxime, e.g., N-Benzothiazol-2-yl-2-(3-chloro-4-methanesulfonyl-phenyl)-2-isopropoxyiminoacetamide and 2-(3-Chloro-4-methanesulfonyl-phenyl)-2-cyclopentyloxyimino-N-(5-methyl-thiazol-2-yl)acetamide; treating metabolic diseases, especially type II diabetes mellitus BERTHEL STEVEN JOSEPH 2008-06-19 US 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-20080146625-A1 C-(Heteroarylaminocarbonyl)-3-phenyl-oxime, e.g., N-Benzothiazol-2-yl-2-(3-chloro-4-methanesulfonyl-phenyl)-2-isopropoxyiminoacetamide and 2-(3-Chloro-4-methanesulfonyl-phenyl)-2-cyclopentyloxyimino-N-(5-methyl-thiazol-2-yl)acetamide; treating metabolic diseases, especially type II diabetes mellitus GCK, PC, PCK2 MEN1 4194/4885KMT2A 967/4885TSHR 2310/4885

“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.