SCHEMBL6489918

SCHEMBL6489918

CC(C)(C)OC(=O)Nc1nc(CCN(C(=O)OC(C)(C)C)c2ccc([N+](=O)[O-])cc2)cs1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
MAPT P10636 2/20 0.43
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
RAB9A P51151 2/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SIRT1 Q96EB6 1/20 0.39
LMNA P02545 1/20 0.38
MMP1 P03956 1/20 0.37
MMP2 P08253 1/20 0.37
MMP9 P14780 1/20 0.37
MMP8 P22894 1/20 0.37
MMP13 P45452 1/20 0.37
MAPK1 P28482 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
POLB P06746 1/20 0.36

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
SCHEMBL6498913 0.88 MAPT (0.39) ALDH1A1MAPTCRHBPCRHR2RAB9A
SCHEMBL6490802 0.87 SIRT1 (0.43) SIRT1HDAC1HDAC6
SCHEMBL6501746 0.85 HDAC1 (0.37) ALDH1A1MAPTCRHBPCRHR2RAB9A
SCHEMBL6793802 0.83 MAPT (0.37) ALDH1A1MAPTCRHBPCRHR2RAB9A
SCHEMBL6500907 0.82 MMP1 (0.39) ALDH1A1MAPTRAB9AMEN1KMT2A
SCHEMBL6499921 0.81 L3MBTL1 (0.46) ALDH1A1MAPTCRHBPCRHR2RAB9A
SCHEMBL6496070 0.81 MAPT (0.43) ALDH1A1MAPTCRHBPCRHR2RAB9A
SCHEMBL27583385 0.80 SIRT1 (0.44) ALDH1A1RAB9ASIRT1HDAC1HDAC6
SCHEMBL27583324 0.79 AOC3 (0.40) ALDH1A1RAB9ASIRT1LMNA
SCHEMBL6795253 0.79 ALDH1A1 (0.39) ALDH1A1MAPTRAB9ALMNAPOLB

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 ALDH1A1 1427/4885MAPT 4795/4885CRHBP 2860/4885
US-20050038035-A1 Heterocyclic amide compounds as apolipoprotein b inhibitors APOB, APOL1, CTRB2 ALDH1A1 1603/4885MAPT 4202/4885CRHBP 2517/4885

“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.