SCHEMBL6407703

SCHEMBL6407703

CN(C)c1ccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)CCC(=O)O)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.53
ALDH1A1 P00352 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
MAPT P10636 2/20 0.53
NPC1 O15118 1/20 0.53
ALOX15 P16050 1/20 0.53
NFKB1 P19838 1/20 0.53
MAPK1 P28482 1/20 0.53
RAB9A P51151 1/20 0.53
NFKB2 Q00653 1/20 0.53
RELA Q04206 1/20 0.53
MCL1 Q07820 1/20 0.53
F7 P08709 1/20 0.52
HDAC8 Q9BY41 3/20 0.50
HDAC3 O15379 2/20 0.50
HDAC4 P56524 2/20 0.50
HDAC1 Q13547 2/20 0.50
HDAC7 Q8WUI4 2/20 0.50
HDAC2 Q92769 2/20 0.50
HDAC10 Q969S8 2/20 0.50

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
SCHEMBL5176720 0.93 ALDH1A1 (0.57) MMP1ALDH1A1SMN1; SMN2MAPTNPC1
SCHEMBL6410493 0.87 MMP1 (0.57) MMP1ALDH1A1SMN1; SMN2MAPTNPC1
SCHEMBL5160205 0.85 F7 (0.59) MMP1ALDH1A1F7KMT2AKLKB1
SCHEMBL5159430 0.84 MMP1 (0.50) MMP1ALDH1A1SMN1; SMN2MAPTNPC1
SCHEMBL6411246 0.81 MMP1 (0.54) MMP1ALDH1A1SMN1; SMN2MAPTNPC1
SCHEMBL7066966 0.81 MMP1 (0.61) MMP1
SCHEMBL7066963 0.81 MMP1 (0.61) MMP1
SCHEMBL6376244 0.81 F7 (0.62) MMP1SMN1; SMN2MAPTNPC1NFKB1
SCHEMBL6376414 0.81 F7 (0.62) MMP1SMN1; SMN2MAPTNPC1NFKB1
SCHEMBL6376248 0.81 F7 (0.62) MMP1SMN1; SMN2MAPTNPC1NFKB1

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-20050277690-A1 Small molecules for treatment of hypercholesterolemia and related diseases AVANIR PHARMACEUTICALS 2005-12-15 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-20050277690-A1 Small molecules for treatment of hypercholesterolemia and related diseases LDLR, NPC1L1, CETP MMP1 3976/4885ALDH1A1 4484/4885SMN1; SMN2 4818/4885

“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.