SCHEMBL1201084

SCHEMBL1201084

CN1CC(=O)N(Cc2cccc(C(=O)O)c2)C1=O

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.59
KMT2A Q03164 4/20 0.57
HDAC6 Q9UBN7 2/20 0.55
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
HIF1A Q16665 1/20 0.51
HTT P42858 1/20 0.46
MEN1 O00255 3/20 0.46
MAPT P10636 2/20 0.46
FOLH1 Q04609 1/20 0.45
PLA2G7 Q13093 1/20 0.44
HPGD P15428 1/20 0.44
PRKAG1 P54619 2/20 0.43
PRKAA2 P54646 2/20 0.43
PRKAB1 Q9Y478 2/20 0.43
POLB P06746 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL27746621 0.88 ALDH1A1 (0.48) ALDH1A1KMT2AHDAC6CYP2D6CYP2C9
SCHEMBL1199514 0.86 HDAC6 (0.55) ALDH1A1KMT2AHDAC6MEN1MAPT
SCHEMBL10938820 0.83 HDAC6 (0.72) ALDH1A1KMT2AHDAC6HIF1AHTT
SCHEMBL11650145 0.81 HDAC6 (0.60) ALDH1A1KMT2AHDAC6CYP2C9HTT
SCHEMBL21606273 0.76 PARK7 (0.52) ALDH1A1KMT2AHDAC6CYP2C9HTT
SCHEMBL23769015 0.75 KMT2A (0.50) ALDH1A1KMT2AHDAC6HTTMEN1
SCHEMBL12636160 0.75 KMT2A (0.63) ALDH1A1KMT2ACYP2D6CYP2C9HIF1A
SCHEMBL10942506 0.74 HDAC6 (0.60) ALDH1A1KMT2AHDAC6HIF1AHTT
SCHEMBL1200938 0.74 ALDH1A1 (1.00) ALDH1A1KMT2AHDAC6CYP2D6CYP2C9
SCHEMBL15973169 0.74 ALDH1A1 (0.54) ALDH1A1KMT2AHDAC6CYP2C9HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7888351-B2 Organic compounds NOVARTIS AG (CH) 2011-02-15 US disclosed
US-20110034462-A1 ORGANIC COMPOUNDS BAESCHLIN DANIEL KASPAR 2011-02-10 US disclosed
US-20090281069-A1 ORGANIC COMPOUNDS BAESCHLIN DANIEL KASPAR 2009-11-12 US disclosed
CN-101472892-A Organic compounds NOVARTIS AG (CH) 2009-07-01 CN disclosed
EP-2007723-A2 ORGANIC COMPOUNDS Novartis AG (CH) 2008-12-31 EP disclosed
WO-2007115821-A2 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2007-10-18 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 (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-20090281069-A1 ORGANIC COMPOUNDS OTC, OAT, SLCO2B1 ALDH1A1 72/4885KMT2A 2877/4885HDAC6 1504/4885
US-20110034462-A1 ORGANIC COMPOUNDS OTC, OAT, SLCO2B1 ALDH1A1 72/4885KMT2A 2877/4885HDAC6 1504/4885

“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.