SCHEMBL6501746

SCHEMBL6501746

Cc1nc(CCN(C(=O)OC(C)(C)C)c2ccc([N+](=O)[O-])cc2)cs1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
GAA P10253 4/20 0.37
RAB9A P51151 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
ALDH1A1 P00352 5/20 0.36
MAPT P10636 6/20 0.36
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
NR1D1 P20393 1/20 0.35
NPC1 O15118 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
PRKCZ Q05513 1/20 0.34
CASP6 P55212 1/20 0.34
CTDSP1 Q9GZU7 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CYP1A2 P05177 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
SCHEMBL6793802 0.87 MAPT (0.37) HDAC1HDAC6GAARAB9AMEN1
SCHEMBL6489918 0.85 ALDH1A1 (0.43) HDAC1HDAC6RAB9AMEN1KMT2A
SCHEMBL6498275 0.85 MAPT (0.38) HDAC1HDAC6GAARAB9AKMT2A
SCHEMBL6795253 0.82 ALDH1A1 (0.39) GAARAB9AALDH1A1MAPTNR1D1
SCHEMBL6489438 0.79 POLB (0.51) RAB9AMEN1KMT2AALDH1A1NPC1
SCHEMBL6500907 0.77 MMP1 (0.39) RAB9AMEN1KMT2AALDH1A1MAPT
SCHEMBL27678360 0.77 ALDH1A1 (0.44) GAARAB9AALDH1A1MAPTNR1D1
SCHEMBL6081269 0.75 ALDH1A1 (0.57) GAARAB9AMEN1KMT2AALDH1A1
SCHEMBL6498913 0.74 MAPT (0.39) RAB9AMEN1KMT2AALDH1A1MAPT
SCHEMBL4964090 0.73 ALDH1A1 (0.39) GAARAB9AALDH1A1MAPTNR1D1

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-20050038035-A1 Heterocyclic amide compounds as apolipoprotein b inhibitors DAISO CO., LTD. (JP) 2005-02-17 US disclosed
US-20040058903-A1 Benzamide compounds as apo b secretion inhibitors FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-03-25 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 (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-20040058903-A1 Benzamide compounds as apo b secretion inhibitors APOB, APOL1, SCARB1 HDAC1 610/4885HDAC6 888/4885GAA 977/4885
US-20050038035-A1 Heterocyclic amide compounds as apolipoprotein b inhibitors APOB, APOL1, CTRB2 HDAC1 98/4885HDAC6 809/4885GAA 2041/4885

“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.