SCHEMBL3236158

SCHEMBL3236158

COc1cc(Cl)cc(Cl)c1C(=O)NC(c1ccccc1)C(C)(C)N1CCCC1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 1/20 0.41
RORC P51449 1/20 0.40
ALDH1A1 P00352 5/20 0.40
S1PR1 P21453 2/20 0.38
ACLY P53396 2/20 0.37
MAPT P10636 4/20 0.36
TP53 P04637 1/20 0.36
LMNA P02545 3/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
HPGD P15428 1/20 0.36
RXFP1 Q9HBX9 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35

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
SCHEMBL3241801 0.91 LMNA (0.40) SLC6A9ALDH1A1LMNAMEN1KMT2A
SCHEMBL13303997 0.90 S1PR1 (0.37) SLC6A9RORCALDH1A1S1PR1MAPT
SCHEMBL3241436 0.88 SLC6A9 (0.41) SLC6A9ALDH1A1S1PR1MAPTKMT2A
SCHEMBL3239948 0.87 KMT2A (0.38) ALDH1A1MAPTTP53LMNAMEN1
SCHEMBL3241301 0.85 MEN1 (0.42) ALDH1A1S1PR1MAPTLMNAMEN1
SCHEMBL3239591 0.84 KMT2A (0.47) SLC6A9ALDH1A1MAPTLMNAMEN1
SCHEMBL3238547 0.84 SMN1; SMN2 (0.48) ALDH1A1ACLYMAPTLMNAMEN1
SCHEMBL3230703 0.84 TAS1R3 (0.45) SLC6A9ALDH1A1S1PR1MAPTTP53
SCHEMBL3241373 0.83 ALDH1A1 (0.39) SLC6A9ALDH1A1MAPTLMNAMEN1
SCHEMBL26840793 0.83 RXFP1 (0.38) SLC6A9ALDH1A1MAPTLMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7745642-B2 Glycine transport inhibitors GLAXO GROUP LIMITED (GB) 2010-06-29 US disclosed
US-7745642-B2 Glycine transport inhibitors GLAXO GROUP LIMITED (GB) 2010-06-29 US disclosed
US-20080287547-A1 Glycine Transport Inhibitors GLAXO GROUP LIMITED (GB) 2008-11-20 US disclosed
US-20080287547-A1 Glycine Transport Inhibitors GLAXO GROUP LIMITED (GB) 2008-11-20 US disclosed
WO-2006067423-A1 GLYCINE TRANSPORT INHIBITORS GLAXO GROUP LIMITED (GB) 2006-06-29 WO 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-20080287547-A1 Glycine Transport Inhibitors SLC18A2, SLC6A5, SLC1A2 SLC6A9 13/4885RORC 4441/4885ALDH1A1 1356/4885

“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.