SCHEMBL1006754

SCHEMBL1006754

O=C(O)c1cc2c([nH]1)CCC2=Cc1cccc(-c2ccco2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.44
PTPN1 P18031 3/20 0.36
PTPN2 P17706 1/20 0.36
PTPN6 P29350 1/20 0.36
GPR17 Q13304 1/20 0.34
ERN1 O75460 1/20 0.33
TDP2 O95551 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
POLB P06746 2/20 0.32
MAPT P10636 1/20 0.32
CFTR P13569 1/20 0.31
SLC6A4 P31645 1/20 0.31
ALOX5 P09917 1/20 0.31
KDM4E B2RXH2 2/20 0.31
GLA P06280 2/20 0.31
PKM P14618 1/20 0.31
RECQL P46063 1/20 0.31
BLM P54132 1/20 0.31
HDAC2 Q92769 1/20 0.31

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
SCHEMBL1006753 1.00 KEAP1 (0.44) KEAP1PTPN1PTPN2PTPN6GPR17
SCHEMBL1003660 0.88 SLC6A4 (0.41) KEAP1MEN1KMT2APOLBMAPT
SCHEMBL1003658 0.88 SLC6A4 (0.41) KEAP1MEN1KMT2APOLBMAPT
SCHEMBL1004042 0.74 GAA (0.38) MEN1KMT2AMAPTSLC6A4PKM
SCHEMBL1004044 0.74 GAA (0.38) MEN1KMT2AMAPTSLC6A4PKM
SCHEMBL1004287 0.72 HSD11B1 (0.46) MEN1KMT2AMAPTKDM4EPKM
SCHEMBL1004286 0.72 HSD11B1 (0.46) MEN1KMT2AMAPTKDM4EPKM
SCHEMBL1006703 0.72 HSD11B1 (0.46) MEN1KMT2AMAPTKDM4EPKM
SCHEMBL1004456 0.69 HDAC2 (0.40) ERN1HDAC2GAA
SCHEMBL1004455 0.69 HDAC2 (0.40) ERN1HDAC2GAA

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-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
US-20100029737-A1 INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2010-02-04 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 (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 KEAP1 299/4885PTPN1 3142/4885PTPN2 3375/4885

“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.