SCHEMBL8167692

SCHEMBL8167692

O=C(O)c1cc2c([nH]1)CCO2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ALOX15 P16050 1/20 0.41
BLM P54132 1/20 0.41
KDM4E B2RXH2 3/20 0.38
ALPL P05186 1/20 0.38
ALDH1A1 P00352 2/20 0.37
LMNA P02545 2/20 0.37
DAO P14920 6/20 0.36
CYP2C19 P33261 2/20 0.35
HPGD P15428 2/20 0.35
HSD17B10 Q99714 2/20 0.35
TSHR P16473 2/20 0.35
PDPK1 O15530 1/20 0.35
APEX1 P27695 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MAPT P10636 1/20 0.34
SRD5A2 P31213 1/20 0.34
GPR35 Q9HC97 1/20 0.34
KDM4C Q9H3R0 1/20 0.33

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
SCHEMBL22374852 0.89 KDM4E (0.40) NFKB1SMN1; SMN2ALOX15BLMKDM4E
SCHEMBL990722 0.78 NPY5R (0.46) KDM4EALPLALDH1A1DAOCYP2C19
SCHEMBL20320787 0.75 HRH4 (0.35) SMN1; SMN2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL13562317 0.73 ALOX15 (0.39) NFKB1SMN1; SMN2ALOX15BLMKDM4E
SCHEMBL6515069 0.69 KDM4E (0.47) NFKB1KDM4EALPLALDH1A1LMNA
SCHEMBL4821076 0.69 HPGD (0.48) NFKB1KDM4EALPLALDH1A1LMNA
SCHEMBL13174693 0.68 GPR35 (0.56) NFKB1KDM4EALPLALDH1A1LMNA
SCHEMBL20320785 0.67 RAB9A (0.44) SMN1; SMN2ALOX15KDM4EALPLALDH1A1
SCHEMBL1423043 0.67 ALDH1A1 (0.65) NFKB1SMN1; SMN2ALOX15BLMKDM4E
SCHEMBL1004852 0.67 ALDH1A1 (0.59) NFKB1SMN1; SMN2ALOX15BLMKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-2011017634-A2 PRODRUGS OF FUSED HETEROCYCLIC INHIBITORS OF D-AMINO ACID OXIDASE SEPRACORE INC. (US) 2011-02-10 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
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 (1 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-20100029737-A1 INHIBITORS OF D-AMINO ACID OXIDASE DDO, DAO, ACHE NFKB1 3351/4885SMN1; SMN2 903/4885ALOX15 98/4885

“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.