SCHEMBL2643583

SCHEMBL2643583

CC(=O)Nc1cccc(Cn2ccc([N+](=O)[O-])n2)c1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.61
MEN1 O00255 3/20 0.60
TSHR P16473 1/20 0.60
SMN1; SMN2 Q16637 3/20 0.50
GAA P10253 3/20 0.45
PKM P14618 1/20 0.45
ALDH1A1 P00352 3/20 0.43
LMNA P02545 3/20 0.43
HTT P42858 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
BRD4 O60885 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
POLB P06746 1/20 0.41

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
SCHEMBL1870854 0.85 SMN1; SMN2 (0.45) KMT2AMEN1TSHRSMN1; SMN2GAA
SCHEMBL2643964 0.81 MEN1 (0.65) KMT2AMEN1TSHRALDH1A1LMNA
SCHEMBL27765571 0.81 SMN1; SMN2 (0.46) KMT2AMEN1SMN1; SMN2GAAPKM
SCHEMBL1865448 0.79 ABHD6 (0.52) KMT2AMEN1SMN1; SMN2GAAPKM
SCHEMBL28116367 0.76 RECQL (0.52) KMT2ASMN1; SMN2PKMALDH1A1LMNA
SCHEMBL17316399 0.76 HDAC1 (0.50) KMT2AMEN1SMN1; SMN2GAAPKM
SCHEMBL1866232 0.75 F2 (0.49) KMT2AMEN1SMN1; SMN2GAAPKM
SCHEMBL27787387 0.74 SMN1; SMN2 (0.43) KMT2AMEN1SMN1; SMN2GAAPKM
SCHEMBL1068209 0.73 CYP19A1 (0.47) KMT2ASMN1; SMN2PKMALDH1A1LMNA
SCHEMBL27787385 0.73 LMNA (0.42) KMT2AMEN1SMN1; SMN2GAAPKM

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 2 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 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 KMT2A 967/4885MEN1 4194/4885TSHR 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.