SCHEMBL1608201

SCHEMBL1608201

COc1cc2cc(C(=O)N3CCOCC3)sc2c([N+](=O)[O-])c1O

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.52
HPGD P15428 2/20 0.50
NPSR1 Q6W5P4 1/20 0.50
ERN1 O75460 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.44
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 1/20 0.43
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.40
MAPT P10636 1/20 0.40
GLA P06280 1/20 0.40
SLC6A5 Q9Y345 1/20 0.39

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
SCHEMBL1609195 0.86 GAA (0.57) GAAHPGDNPSR1L3MBTL1ALDH1A1
SCHEMBL1609359 0.80 PKM (0.44) GAAHPGDNPSR1ERN1L3MBTL1
SCHEMBL12792594 0.78 PRKCZ (0.46) GAAERN1ALDH1A1KDM4EKMT2A
SCHEMBL12082410 0.74 ALDH1A1 (0.45) GAAHPGDERN1L3MBTL1ALDH1A1
SCHEMBL2404157 0.71 GAA (0.49) GAAHPGDNPSR1L3MBTL1ALDH1A1
SCHEMBL31081363 0.69 KMT2A (0.56) GAAHPGDNPSR1ERN1L3MBTL1
SCHEMBL31081351 0.69 KMT2A (0.56) GAAHPGDNPSR1ERN1L3MBTL1
SCHEMBL6233482 0.69 GAA (1.00) GAAHPGDL3MBTL1ALDH1A1KDM4E
SCHEMBL1608760 0.68 COMT (0.48) GAAHPGDALDH1A1KDM4EKMT2A
SCHEMBL8038657 0.67 POLB (0.40) L3MBTL1ALDH1A1KMT2AMEN1HTT

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-8318785-B2 Pharmaceutical compounds ORION CORPORATION (FI) 2012-11-27 US disclosed
US-20110086852-A2 PHARMACEUTICAL COMPOUNDS ORION CORPORATION (FI) 2011-04-14 US disclosed
EP-1910325-B1 NEW PHARMACEUTICAL COMPOUNDS ORION CORP (FI) 2010-10-06 EP disclosed
US-20090209532-A1 PHARMACEUTICAL COMPOUNDS ORION CORPORATION (FI) 2009-08-20 US disclosed
EP-1910325-A2 NEW PHARMACEUTICAL COMPOUNDS ORION CORPORATION (FI) 2008-04-16 EP disclosed
WO-2007010085-A2 NEW PHARMACEUTICAL COMPOUNDS ORION CORPORATION (FI) 2007-01-25 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-20090209532-A1 PHARMACEUTICAL COMPOUNDS COMT, CYP2C19, UGT1A1 GAA 42/4885HPGD 163/4885NPSR1 721/4885
US-20110086852-A2 PHARMACEUTICAL COMPOUNDS COMT, CYP2C19, CYP3A4 GAA 70/4885HPGD 611/4885NPSR1 219/4885

“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.