SCHEMBL1004702

SCHEMBL1004702

CCOC(=O)c1cc2c([nH]1)C(=O)CC2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.45
KDM4E B2RXH2 7/20 0.44
ALDH1A1 P00352 6/20 0.44
RAB9A P51151 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
HPGD P15428 3/20 0.44
HSD17B10 Q99714 2/20 0.44
MAPT P10636 4/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
ALOX15 P16050 2/20 0.44
LMNA P02545 3/20 0.43
NPC1 O15118 3/20 0.43
KMT2A Q03164 2/20 0.43
GLA P06280 2/20 0.43
ATM Q13315 2/20 0.43
GAA P10253 2/20 0.43
MEN1 O00255 1/20 0.43
HTT P42858 1/20 0.42
MMP13 P45452 3/20 0.41
MMP2 P08253 2/20 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
SCHEMBL18250045 0.91 KDM4E (0.51) HRH3KDM4EALDH1A1RAB9ASMN1; SMN2
SCHEMBL1160043 0.91 KDM4E (0.48) HRH3KDM4EALDH1A1RAB9ASMN1; SMN2
SCHEMBL1005097 0.83 CYP1A2 (0.49) KDM4ERAB9AMAPTL3MBTL1LMNA
SCHEMBL14916104 0.79 ALDH1A1 (0.40) HRH3KDM4EALDH1A1RAB9ASMN1; SMN2
SCHEMBL24374824 0.79 HRH3 (0.40) HRH3KDM4EALDH1A1RAB9ASMN1; SMN2
SCHEMBL1160540 0.78 ALDH1A1 (0.41) HRH3KDM4EALDH1A1RAB9ASMN1; SMN2
SCHEMBL13562340 0.77 HRH3 (0.43) HRH3KDM4EALDH1A1RAB9ASMN1; SMN2
SCHEMBL1004890 0.76 ALDH1A1 (0.46) HRH3KDM4EALDH1A1RAB9ASMN1; SMN2
SCHEMBL1004891 0.76 ALDH1A1 (0.46) HRH3KDM4EALDH1A1RAB9ASMN1; SMN2
SCHEMBL1003932 0.76 ALDH1A1 (0.45) HRH3KDM4EALDH1A1RAB9ASMN1; SMN2

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 13 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
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
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-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 HRH3 2/4885KDM4E 1101/4885ALDH1A1 4042/4885
US-20090099248-A1 INHIBITORS OF D-AMINO ACID OXIDASE DDO, DAO, ACHE HRH3 1384/4885KDM4E 1859/4885ALDH1A1 465/4885
US-20100029737-A1 INHIBITORS OF D-AMINO ACID OXIDASE DDO, DAO, ACHE HRH3 1384/4885KDM4E 1859/4885ALDH1A1 465/4885

“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.