SCHEMBL2201154

SCHEMBL2201154

CCOC(=O)c1c(CN2C(=O)c3ccccc3C2=O)n[nH]c1C1CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.44
ALDH1A1 P00352 6/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.41
MAPT P10636 3/20 0.39
NPSR1 Q6W5P4 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
PRMT5 O14744 1/20 0.39
WDR77 Q9BQA1 1/20 0.39
POLB P06746 1/20 0.38
NPC1 O15118 1/20 0.38
TDP2 O95551 1/20 0.38
NSD2 O96028 1/20 0.38
LMNA P02545 1/20 0.38
THRB P10828 1/20 0.38
XBP1 P17861 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL2201157 0.75 KMT2A (0.43) GAAALDH1A1NPSR1MEN1KMT2A
SCHEMBL2201791 0.72 PDE4D (0.63) GAAALDH1A1HPGDHSD17B10L3MBTL1
SCHEMBL1988351 0.71 GAA (0.45) GAAALDH1A1HPGDHSD17B10L3MBTL1
SCHEMBL1987798 0.71 GAA (0.52) GAAALDH1A1HPGDHSD17B10L3MBTL1
SCHEMBL2200564 0.70 SCN9A (0.44) ALDH1A1HSD17B10NPSR1POLBSMN1; SMN2
SCHEMBL2200905 0.68 CDK5 (0.46) ALDH1A1HPGDHSD17B10NPSR1KMT2A
SCHEMBL18137693 0.68 KDM5B (0.42) GAAALDH1A1HPGDHSD17B10MAPT
SCHEMBL4442104 0.68 HTT (0.53) GAAL3MBTL1MAPTMEN1KMT2A
SCHEMBL20471495 0.67 KDM4E (0.50) ALDH1A1HPGDL3MBTL1MAPTNPSR1
SCHEMBL7850694 0.67 ALDH1A1 (0.54) GAAALDH1A1HPGDHSD17B10MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7977358-B2 Pyrazol derivatives HOFFMANN-LA ROCHE INC. (US) 2011-07-12 US disclosed
EP-2182953-A2 NEW PYRAZOL DERIVATIVES F. Hoffmann-Roche AG (CH) 2010-05-12 EP disclosed
US-20090029963-A1 PYRAZOL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-01-29 US disclosed
WO-2009013211-A2 NEW PYRAZOL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-01-29 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-20090029963-A1 PYRAZOL DERIVATIVES CCR1, CCR3, CCRL2 GAA 4632/4885ALDH1A1 1476/4885HPGD 1363/4885

“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.