SCHEMBL6409267

SCHEMBL6409267

N=C(N)Nc1ccc(NC(=O)[C@H](Cc2ccc(-c3ccccc3)cc2)NC(=O)c2ccc(C(=O)O)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 4/20 0.55
F10 P00742 2/20 0.54
CTSB P07858 2/20 0.52
CTSS P25774 2/20 0.52
CTSK P43235 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
HPGDS O60760 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
F9 P00740 1/20 0.50
HDAC3 O15379 1/20 0.49
HDAC4 P56524 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC10 Q969S8 1/20 0.49
HDAC11 Q96DB2 1/20 0.49

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
SCHEMBL5163894 0.94 CYP1A2 (0.55) USP30F10CTSBCTSSCTSK
SCHEMBL6411254 0.89 USP30 (0.57) USP30F10CTSBCTSSCTSK
SCHEMBL5161097 0.89 USP30 (0.57) USP30F10CTSBCTSSCTSK
SCHEMBL6407354 0.83 NPC1 (0.57) USP30CTSBCTSSCTSKL3MBTL1
Bentiromide SCHEMBL151634 0.83 CTSL (0.62) USP30CTSSCTSKL3MBTL1CYP1A2
Bentiromide SCHEMBL3250992 0.83 CTSL (0.62) USP30CTSSCTSKL3MBTL1CYP1A2
Bentiromide SCHEMBL1001794 0.83 CTSL (0.62) USP30CTSSCTSKL3MBTL1CYP1A2
SCHEMBL2899982 0.83 HDAC8 (0.61) USP30CTSBCTSSCTSKL3MBTL1
SCHEMBL2899984 0.83 HDAC8 (0.61) USP30CTSBCTSSCTSKL3MBTL1
SCHEMBL7275364 0.83 CA2 (0.62) ALDH1A1KMT2A

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 USP30 3092/4885F10 3001/4885CTSB 1220/4885

“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.