SCHEMBL6498913

SCHEMBL6498913

CC(C)(C)OC(=O)Nc1nc(CCN(C(=O)OC(C)(C)C)c2ccc([N+](=O)[O-])cn2)cs1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.39
ALDH1A1 P00352 2/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
SIRT1 Q96EB6 1/20 0.38
POLB P06746 2/20 0.37
RAB9A P51151 2/20 0.37
CYP2C19 P33261 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PKM P14618 2/20 0.36
RXFP1 Q9HBX9 1/20 0.36
CCR2 P41597 1/20 0.36
MAPK1 P28482 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
LMNA P02545 1/20 0.35
SLC29A1 Q99808 1/20 0.34

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
SCHEMBL6489918 0.88 ALDH1A1 (0.43) MAPTALDH1A1CRHBPCRHR2SIRT1
SCHEMBL6499711 0.85 SIRT1 (0.42) SIRT1RAB9ACCR2
SCHEMBL6488833 0.82 SIRT1 (0.40) MAPTALDH1A1CRHBPCRHR2SIRT1
SCHEMBL6497572 0.81 GAA (0.42) MAPTALDH1A1CRHBPCRHR2SIRT1
SCHEMBL6499921 0.79 L3MBTL1 (0.46) MAPTALDH1A1CRHBPCRHR2SIRT1
SCHEMBL6496070 0.77 MAPT (0.43) MAPTALDH1A1CRHBPCRHR2SIRT1
SCHEMBL6490802 0.77 SIRT1 (0.43) SIRT1CCR2
SCHEMBL26640360 0.77 PKM (0.46) MAPTALDH1A1POLBRAB9ACYP2C19
SCHEMBL6501746 0.74 HDAC1 (0.37) MAPTALDH1A1CRHBPCRHR2RAB9A
SCHEMBL18519552 0.73 CYP2C19 (0.41) MAPTALDH1A1POLBRAB9ACYP2C19

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-20050038035-A1 Heterocyclic amide compounds as apolipoprotein b inhibitors DAISO CO., LTD. (JP) 2005-02-17 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-20050038035-A1 Heterocyclic amide compounds as apolipoprotein b inhibitors APOB, APOL1, CTRB2 MAPT 4202/4885ALDH1A1 1603/4885CRHBP 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.