SCHEMBL6414093

SCHEMBL6414093

Nc1ccc(NC(=O)[C@@H](NC(=O)c2ccc(C(=O)O)cc2)c2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
LMNA P02545 1/20 0.50
POLB P06746 1/20 0.50
PKM P14618 1/20 0.50
APEX1 P27695 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
FFAR1 O14842 1/20 0.48
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
HDAC1 Q13547 5/20 0.46
F10 P00742 4/20 0.46
F2 P00734 1/20 0.46
S1PR4 O95977 1/20 0.46
S1PR3 Q99500 1/20 0.46
HDAC3 O15379 4/20 0.46
HDAC2 Q92769 4/20 0.46
HDAC4 P56524 3/20 0.46
HDAC7 Q8WUI4 3/20 0.46
HDAC10 Q969S8 3/20 0.46

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
SCHEMBL6407354 0.79 NPC1 (0.57) CA1CA2HDAC1HDAC3HDAC2
SCHEMBL27926312 0.78 HDAC1 (0.61) LMNAHDAC1HDAC3HDAC2HDAC4
SCHEMBL27926311 0.78 HDAC1 (0.61) LMNAHDAC1HDAC3HDAC2HDAC4
SCHEMBL3277058 0.76 POLB (0.85) MEN1KMT2ALMNAPOLBPKM
SCHEMBL17795755 0.76 POLB (0.85) MEN1KMT2ALMNAPOLBPKM
SCHEMBL7877076 0.76 POLB (0.85) MEN1KMT2ALMNAPOLBPKM
SCHEMBL6411254 0.76 USP30 (0.57) KMT2APKMTDP1CA2HDAC1
SCHEMBL5161097 0.76 USP30 (0.57) KMT2APKMTDP1CA2HDAC1
SCHEMBL29866403 0.74 CTSS (0.59) MEN1KMT2AS1PR3HDAC8HPN
SCHEMBL31560139 0.74 CTSS (0.59) MEN1KMT2AS1PR3HDAC8HPN

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 MEN1 3556/4885KMT2A 3935/4885LMNA 1880/4885

“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.