SCHEMBL1004412

SCHEMBL1004412

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.47
NFKB1 P19838 1/20 0.47
BLM P54132 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
KDM4E B2RXH2 4/20 0.43
HPGD P15428 4/20 0.43
HSD17B10 Q99714 4/20 0.43
ALDH1A1 P00352 3/20 0.43
LMNA P02545 1/20 0.42
CYP2C19 P33261 2/20 0.40
DYRK1A Q13627 1/20 0.39
TSHR P16473 1/20 0.38
GPR35 Q9HC97 4/20 0.37
GAA P10253 2/20 0.36
MEN1 O00255 1/20 0.36
GRIN2D O15399 1/20 0.36
GRIN3B O60391 1/20 0.36
CYP1A2 P05177 1/20 0.36
GLA P06280 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL10264129 0.89 ALDH1A1 (0.49) ALOX15NFKB1BLMSMN1; SMN2KDM4E
SCHEMBL1004484 0.79 CYP1A2 (0.49) KDM4ELMNADYRK1ATSHRGAA
SCHEMBL30831687 0.78 BLM (0.44) ALOX15NFKB1BLMSMN1; SMN2KDM4E
SCHEMBL1003932 0.75 ALDH1A1 (0.45) ALOX15SMN1; SMN2KDM4EHPGDHSD17B10
SCHEMBL9802503 0.73 KDM4E (0.65) KDM4EHPGDHSD17B10ALDH1A1DYRK1A
SCHEMBL13482827 0.73 KDM4E (0.70) ALOX15SMN1; SMN2KDM4EHPGDHSD17B10
SCHEMBL13562321 0.73 NFKB1 (0.39) ALOX15NFKB1BLMSMN1; SMN2KDM4E
SCHEMBL10263657 0.73 BLM (0.39) ALOX15NFKB1BLMSMN1; SMN2KDM4E
SCHEMBL12777376 0.72 CDC7 (0.46) ALOX15NFKB1BLMSMN1; SMN2KDM4E
SCHEMBL8168410 0.71 ALDH1A1 (0.62) ALOX15NFKB1BLMSMN1; SMN2KDM4E

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 14 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
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 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.