SCHEMBL1003932

SCHEMBL1003932

CCOC(=O)c1cc2c([nH]1)CCC2=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.45
LMNA P02545 4/20 0.45
MAPT P10636 3/20 0.45
L3MBTL1 Q9Y468 3/20 0.45
KDM4E B2RXH2 8/20 0.44
HPGD P15428 4/20 0.44
RAB9A P51151 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HSD17B10 Q99714 2/20 0.44
KMT2A Q03164 2/20 0.44
NPC1 O15118 3/20 0.43
GAA P10253 3/20 0.43
GLA P06280 2/20 0.43
ATM Q13315 2/20 0.43
MEN1 O00255 1/20 0.43
ALOX15 P16050 1/20 0.43
POLB P06746 1/20 0.42
HTT P42858 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
MMP2 P08253 1/20 0.41

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
SCHEMBL2077218 0.91 BRD4 (0.47) ALDH1A1LMNAMAPTL3MBTL1KDM4E
SCHEMBL1004484 0.83 CYP1A2 (0.49) LMNAMAPTL3MBTL1KDM4ERAB9A
SCHEMBL2077039 0.82 ALDH1A1 (0.43) ALDH1A1LMNAMAPTL3MBTL1KDM4E
SCHEMBL31607736 0.81 PLK4 (0.49) ALDH1A1LMNAMAPTL3MBTL1KDM4E
SCHEMBL13562327 0.79 ALDH1A1 (0.45) ALDH1A1LMNAMAPTL3MBTL1KDM4E
SCHEMBL10264401 0.78 ALDH1A1 (0.42) ALDH1A1LMNAMAPTL3MBTL1KDM4E
SCHEMBL13562319 0.78 ALDH1A1 (0.40) ALDH1A1LMNAMAPTL3MBTL1KDM4E
SCHEMBL10263825 0.78 ALDH1A1 (0.40) ALDH1A1LMNAMAPTL3MBTL1KDM4E
SCHEMBL13562328 0.78 ALOX15 (0.40) ALDH1A1LMNAMAPTL3MBTL1KDM4E
SCHEMBL10263178 0.77 HRH3 (0.43) ALDH1A1LMNAMAPTL3MBTL1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120277238-A1 PHARMACEUTICAL COMPOSITION CONTAINING FUSED HETERO-RING DERIVATIVE SHIONOGI & CO., LTD (JP) 2012-11-01 US disclosed
US-20120277238-A1 PHARMACEUTICAL COMPOSITION CONTAINING FUSED HETERO-RING DERIVATIVE SHIONOGI & CO., LTD (JP) 2012-11-01 US disclosed
EP-2460794-A1 PHARMACEUTICAL COMPOSITION CONTAINING FUSED HETERO-RING DERIVATIVE Shionogi & Co., Ltd. (JP) 2012-06-06 EP disclosed
US-7902252-B2 Inhibitors of D-amino acid oxidase SEPRACOR, INC. (US) 2011-03-08 US disclosed
US-7902252-B2 Inhibitors of D-amino acid oxidase SEPRACOR, INC. (US) 2011-03-08 US disclosed
WO-2011011330-A2 INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2011-01-27 WO disclosed
US-20100029737-A1 INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2010-02-04 US disclosed
US-20100029737-A1 INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2010-02-04 US disclosed
US-20090099248-A1 INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2009-04-16 US disclosed
US-20090099248-A1 INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2009-04-16 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 (3 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-20120277238-A1 PHARMACEUTICAL COMPOSITION CONTAINING FUSED HETERO-RING DERIVATIVE HRH4, HRH3, HRH2 ALDH1A1 4042/4885LMNA 4319/4885MAPT 3869/4885
US-20090099248-A1 INHIBITORS OF D-AMINO ACID OXIDASE DDO, DAO, ACHE ALDH1A1 465/4885LMNA 4552/4885MAPT 444/4885
US-20100029737-A1 INHIBITORS OF D-AMINO ACID OXIDASE DDO, DAO, ACHE ALDH1A1 465/4885LMNA 4552/4885MAPT 444/4885

“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.