SCHEMBL15564427

SCHEMBL15564427

O=c1c(Br)nn(CCBr)c(=O)n1COCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.43
PKM P14618 3/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MAOA P21397 2/20 0.34
MAOB P27338 2/20 0.34
TSHR P16473 2/20 0.34
MAPK1 P28482 2/20 0.34
USP2 O75604 1/20 0.34
MAPK14 Q16539 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
HPGD P15428 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL4576525 0.90 ALDH1A1 (0.47) ALDH1A1PKMNPC1RAB9ASMN1; SMN2
SCHEMBL16968209 0.87 ALDH1A1 (0.41) ALDH1A1PKMNPC1RAB9ASMN1; SMN2
SCHEMBL28646842 0.86 ALDH1A1 (0.44) ALDH1A1PKMNPC1RAB9ASMN1; SMN2
SCHEMBL16968228 0.85 CNR1 (0.40) ALDH1A1PKMNPC1RAB9ASMN1; SMN2
SCHEMBL15563858 0.85 PGR (0.40) ALDH1A1SMN1; SMN2L3MBTL1KMT2A
SCHEMBL12650380 0.84 ALDH1A1 (0.50) ALDH1A1PKMNPC1RAB9ASMN1; SMN2
SCHEMBL18256164 0.84 ALDH1A1 (0.39) ALDH1A1PKMNPC1RAB9ASMN1; SMN2
SCHEMBL16968198 0.83 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2MAOAMAOBTSHR
SCHEMBL16968258 0.83 ALDH1A1 (0.38) ALDH1A1L3MBTL1USP2
SCHEMBL16968208 0.83 SMN1; SMN2 (0.40) ALDH1A1SMN1; SMN2TSHRMAPK1USP2

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 ALDH1A1 1465/4885PKM 3088/4885NPC1 4652/4885

“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.