SCHEMBL6793802

SCHEMBL6793802

CN(C(=O)OC(C)(C)C)c1nc(CCN(C(=O)OC(C)(C)C)c2ccc([N+](=O)[O-])cc2)cs1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.37
RAB9A P51151 2/20 0.37
HDAC1 Q13547 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
ALDH1A1 P00352 5/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
PAX8 Q06710 1/20 0.34
CYP1A2 P05177 1/20 0.34
NR1D1 P20393 1/20 0.34
GAA P10253 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33
PRKCZ Q05513 1/20 0.33
LMNA P02545 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRD1 P41143 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
SCHEMBL6501746 0.87 HDAC1 (0.37) MAPTRAB9AHDAC1HDAC6ALDH1A1
SCHEMBL6489918 0.83 ALDH1A1 (0.43) MAPTRAB9AHDAC1HDAC6ALDH1A1
SCHEMBL6795253 0.80 ALDH1A1 (0.39) MAPTRAB9AALDH1A1SMN1; SMN2CYP1A2
SCHEMBL6489438 0.77 POLB (0.51) RAB9AALDH1A1CYP1A2MEN1KMT2A
SCHEMBL6794742 0.75 MEN1 (0.40) MAPTRAB9APAX8GAAMEN1
SCHEMBL27583338 0.74 GSTO1 (0.35) HDAC1HDAC6
SCHEMBL6500907 0.74 MMP1 (0.39) MAPTRAB9AALDH1A1SMN1; SMN2MEN1
SCHEMBL27678360 0.74 ALDH1A1 (0.44) MAPTRAB9AALDH1A1SMN1; SMN2CYP1A2
SCHEMBL380709 0.73 ALDH1A1 (0.57) MAPTALDH1A1SMN1; SMN2PAX8CYP1A2
SCHEMBL6081269 0.73 ALDH1A1 (0.57) MAPTRAB9AALDH1A1SMN1; SMN2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20040058903-A1 Benzamide compounds as apo b secretion inhibitors APOB, APOL1, SCARB1 MAPT 4795/4885RAB9A 3707/4885HDAC1 610/4885

“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.