SCHEMBL4518447

SCHEMBL4518447

COc1ccccc1C(=O)NCCC(C)C

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.60
TP53 P04637 1/20 0.60
GLA P06280 1/20 0.60
CTSD P07339 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
KCNA3 P22001 1/20 0.59
KCNA5 P22460 1/20 0.57
USP2 O75604 1/20 0.57
MAPK1 P28482 1/20 0.57
NPC1 O15118 1/20 0.56
CYP3A4 P08684 1/20 0.56
HCRTR1 O43613 1/20 0.55
ALDH1A1 P00352 2/20 0.55
POLB P06746 1/20 0.55
KMT2A Q03164 2/20 0.54
MEN1 O00255 1/20 0.54

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
SCHEMBL11087644 0.85 NPC1 (0.63) HPGDL3MBTL1KCNA5NPC1KMT2A
SCHEMBL10330502 0.84 KCNA3 (0.70) HPGDTP53GLACTSDL3MBTL1
SCHEMBL3038950 0.83 KMT2A (0.74) HPGDTP53GLACTSDUSP2
SCHEMBL6360123 0.83 HPGD (0.65) HPGDTP53GLACTSDUSP2
SCHEMBL11761482 0.83 NAMPT (0.71) HPGDTP53GLACTSDL3MBTL1
SCHEMBL7956519 0.81 HPGD (0.63) HPGDTP53GLACTSDUSP2
SCHEMBL3365176 0.81 CTSD (0.68) HPGDTP53GLACTSDUSP2
SCHEMBL10243095 0.81 STAT3 (0.64) HPGDTP53GLACTSDUSP2
SCHEMBL30848493 0.81 HPGD (0.63) HPGDTP53GLACTSDUSP2
Hydrochloric Acid SCHEMBL9585041 0.80 CTSD (0.66) HPGDTP53GLACTSDUSP2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11840543-B2 Compounds and uses THE UNIVERSITY OF QUEENSLAND (AU) 2023-12-12 US disclosed
US-7589089-B2 Inhibitors for GlyT-1 HOFFMANN-LA ROCHE INC. (US) 2009-09-15 US disclosed
US-20080058331-A1 Inhibitors for GlyT-1 HOFFMANN-LA ROCHE INC. 2008-03-06 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 (2 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-20080058331-A1 Inhibitors for GlyT-1 GLRA1, SLC1A2, AGXT HPGD 3821/4885TP53 4042/4885GLA 708/4885
US-11840543-B2 Compounds and uses NLRP3, NOD1, IAPP HPGD 1231/4885TP53 1567/4885GLA 678/4885

“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.