SCHEMBL1006834

SCHEMBL1006834

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.48
NFKB1 P19838 1/20 0.48
BLM P54132 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
ALDH1A1 P00352 3/20 0.44
LMNA P02545 1/20 0.44
CYP2C19 P33261 2/20 0.41
TSHR P16473 1/20 0.39
GPR35 Q9HC97 4/20 0.37
KDM4E B2RXH2 3/20 0.37
HPGD P15428 3/20 0.37
HSD17B10 Q99714 3/20 0.37
MEN1 O00255 1/20 0.37
GRIN2D O15399 1/20 0.37
GRIN3B O60391 1/20 0.37
CYP1A2 P05177 1/20 0.37
GLA P06280 1/20 0.37
GAA P10253 1/20 0.37
MAPK1 P28482 1/20 0.37
AHR P35869 1/20 0.37

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
SCHEMBL4123765 0.89 ALOX15 (0.45) ALOX15NFKB1BLMSMN1; SMN2ALDH1A1
SCHEMBL1005097 0.80 CYP1A2 (0.49) LMNATSHRKDM4ECYP1A2GLA
SCHEMBL1004702 0.77 HRH3 (0.45) ALOX15SMN1; SMN2ALDH1A1LMNAKDM4E
SCHEMBL30115707 0.74 SRD5A2 (0.51) ALOX15NFKB1BLMSMN1; SMN2ALDH1A1
SCHEMBL13804459 0.74 GRIN2D (0.40) ALDH1A1LMNAKDM4EHPGDHSD17B10
SCHEMBL12844665 0.71 KDM4E (0.40) SMN1; SMN2ALDH1A1LMNAKDM4EHPGD
SCHEMBL1004412 0.71 ALOX15 (0.47) ALOX15NFKB1BLMSMN1; SMN2ALDH1A1
SCHEMBL3598117 0.70 CCNC (0.49)
SCHEMBL1004098 0.70 CYP1A2 (0.46) SMN1; SMN2ALDH1A1LMNAKDM4EHPGD
SCHEMBL1054865 0.70 CYP1A2 (0.46) SMN1; SMN2ALDH1A1LMNAKDM4EHPGD

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-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
US-20090099248-A1 INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2009-04-16 US disclosed
WO-2008089453-A2 INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2008-07-24 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 (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 ALOX15 2446/4885NFKB1 1938/4885BLM 3557/4885
US-20090099248-A1 INHIBITORS OF D-AMINO ACID OXIDASE DDO, DAO, ACHE ALOX15 98/4885NFKB1 3351/4885BLM 4815/4885
US-20100029737-A1 INHIBITORS OF D-AMINO ACID OXIDASE DDO, DAO, ACHE ALOX15 98/4885NFKB1 3351/4885BLM 4815/4885

“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.