SCHEMBL1007274

SCHEMBL1007274

O=C(O)c1cc2c([nH]1)CCC2Cc1cccc(-c2ccco2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.43
PRMT6 Q96LA8 1/20 0.41
GPR17 Q13304 1/20 0.35
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
PSMB5 P28074 3/20 0.34
PTPN1 P18031 1/20 0.34
SLC6A4 P31645 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GLA P06280 1/20 0.34
POLB P06746 1/20 0.34
RECQL P46063 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CCR3 P51677 1/20 0.33
SCD O00767 1/20 0.33
SCD5 Q86SK9 1/20 0.33
CDK2 P24941 1/20 0.32
GSK3A P49840 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
SCHEMBL1004547 0.88 SLC6A4 (0.43) KEAP1PRMT6PSMB5SLC6A4KDM4E
SCHEMBL2077165 0.86 MMP1 (0.41) ESR1ESR2
SCHEMBL1004854 0.82 ESR1 (0.44) ESR1ESR2KMT2A
SCHEMBL1006707 0.81 ACMSD (0.39) ESR1ESR2
SCHEMBL1003853 0.81 DDB1 (0.44) ESR1ESR2KDM4EALDH1A1L3MBTL1
SCHEMBL12777445 0.81 DDB1 (0.44) ESR1ESR2KDM4EALDH1A1L3MBTL1
SCHEMBL1003791 0.80 ESR1 (0.36) ESR1ESR2CDK2GSK3A
SCHEMBL2077375 0.80 KMO (0.43) PRMT6KDM4E
SCHEMBL1005137 0.79 ESR1 (0.42) ESR1ESR2ALDH1A1GLAKMT2A
SCHEMBL1003672 0.79 HCAR2 (0.40) ESR1ESR2KDM4EALDH1A1TDP1

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 8 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
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

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 299/4885PRMT6 332/4885GPR17 1336/4885

“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.