SCHEMBL6497572

SCHEMBL6497572

CC(C)(C)OC(=O)Nc1nc(CCNc2ccc([N+](=O)[O-])cn2)cs1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.42
CYP1A2 P05177 1/20 0.42
RAB9A P51151 5/20 0.42
NPC1 O15118 3/20 0.42
MAPT P10636 5/20 0.41
KMT2A Q03164 3/20 0.41
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HTT P42858 1/20 0.41
DPP4 P27487 2/20 0.41
SIRT1 Q96EB6 1/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
POLB P06746 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL6496070 0.87 MAPT (0.43) RAB9ANPC1MAPTKMT2ALMNA
SCHEMBL6488833 0.84 SIRT1 (0.40) GAACYP1A2RAB9ANPC1MAPT
SCHEMBL6498913 0.81 MAPT (0.39) RAB9AMAPTKMT2ALMNAMEN1
SCHEMBL6499921 0.81 L3MBTL1 (0.46) GAARAB9ANPC1MAPTKMT2A
SCHEMBL115820 0.77 CYP1A2 (0.65) GAACYP1A2RAB9ANPC1MAPT
SCHEMBL29451984 0.77 PIK3CA (0.47) MAPTKMT2ALMNASMN1; SMN2MEN1
SCHEMBL6489918 0.76 ALDH1A1 (0.43) RAB9AMAPTKMT2ALMNAMEN1
SCHEMBL22371611 0.73 MAPT (0.50) GAACYP1A2RAB9ANPC1MAPT
SCHEMBL6503635 0.73 PI4KB (0.47) GAARAB9ANPC1MAPTKMT2A
SCHEMBL12742401 0.73 PTPRB (0.49) GAAKMT2ALMNASMN1; SMN2ALDH1A1

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 GAA 2041/4885CYP1A2 115/4885RAB9A 4382/4885

“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.