SCHEMBL15564609

SCHEMBL15564609

O=c1[nH]c(=O)n(Cc2cccc3cccnc23)nc1Br

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 4/20 0.60
SLC22A12 Q96S37 1/20 0.43
ALDH1A1 P00352 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HTT P42858 1/20 0.39
HTR5A P47898 3/20 0.39
HDAC6 Q9UBN7 2/20 0.39
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
GRIA1 P42261 1/20 0.38
GRIA2 P42262 1/20 0.38
GRIA4 P48058 1/20 0.38
GRIK5 Q16478 1/20 0.38
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
CYP2C19 P33261 1/20 0.36
MAPK1 P28482 1/20 0.35
IDH1 O75874 1/20 0.35

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
SCHEMBL15563892 0.85 DAO (0.60) DAOSLC22A12ALDH1A1L3MBTL1HTR5A
SCHEMBL15565105 0.81 DAO (0.56) DAOSLC22A12ALDH1A1HTTGRIA1
SCHEMBL15563785 0.78 DAO (0.53) DAOSLC22A12ALDH1A1L3MBTL1CYP3A4
SCHEMBL15565199 0.77 DAO (0.63) DAOSLC22A12ALDH1A1L3MBTL1HTT
SCHEMBL15563837 0.71 GRIA1 (0.49) DAOALDH1A1HTTGRIA1GRIA2
SCHEMBL6476952 0.70 GRIA1 (0.43) DAOALDH1A1GRIA1GRIA2GRIA4
SCHEMBL16968248 0.70 DAO (0.56) DAOALDH1A1GRIA1GRIA2GRIA4
SCHEMBL15563626 0.68 DAO (0.57) DAOALDH1A1HTTGRIA1GRIA2
SCHEMBL22000267 0.68 DAO (0.55) DAOSLC22A12ALDH1A1L3MBTL1HTT
SCHEMBL16968255 0.67 DAO (0.54) DAOALDH1A1HTTGRIA1GRIA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9505753-B2 Inhibitors of D-amino acid oxidase THE JOHNS HOPKINS UNIVERSITY (US) 2016-11-29 US disclosed
US-20150218156-A1 INHIBITORS OF D-AMINO ACID OXIDASE THE JOHNS HOPKINS UNIVERSITY (US) 2015-08-06 US disclosed
WO-2014025993-A1 INHIBITORS OF D-AMINO ACID OXIDASE THE JOHNS HOPKINS UNIVERSITY (US) 2014-02-13 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-20150218156-A1 INHIBITORS OF D-AMINO ACID OXIDASE DDO, DAO, GRIN2A DAO 2/4885SLC22A12 4174/4885ALDH1A1 1465/4885

“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.