SCHEMBL1004540

SCHEMBL1004540

O=C(O)c1cc2c([nH]1)CCC2Cc1ccc(Cl)cc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 6/20 0.41
ESR2 Q92731 6/20 0.41
DAO P14920 1/20 0.41
TSHR P16473 1/20 0.39
RHEB Q15382 2/20 0.39
CYP26A1 O43174 2/20 0.38
F7 P08709 1/20 0.38
F3 P13726 1/20 0.38
LMNA P02545 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
CYP2C9 P11712 1/20 0.35
HPGD P15428 1/20 0.35
MAPK1 P28482 1/20 0.35
BLM P54132 1/20 0.35
KMT2A Q03164 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
SCHEMBL1003853 0.88 DDB1 (0.44) ESR1ESR2DAOCYP26A1KDM4E
SCHEMBL12777445 0.88 DDB1 (0.44) ESR1ESR2DAOCYP26A1KDM4E
SCHEMBL1006811 0.88 KDM4A (0.37) ESR1ESR2CYP26A1
SCHEMBL1003668 0.87 ESR1 (0.38) ESR1ESR2RHEBCYP26A1
SCHEMBL1007006 0.87 ESR1 (0.38) ESR1ESR2TSHRCYP26A1LMNA
SCHEMBL1004610 0.87 GRM2 (0.39) ESR1ESR2RHEB
SCHEMBL1006240 0.86 PTGS1 (0.42) ESR1ESR2CYP26A1KMT2A
SCHEMBL1005137 0.86 ESR1 (0.42) ESR1ESR2LMNAMEN1KMT2A
SCHEMBL1006534 0.86 CYP26A1 (0.46) ESR1ESR2TSHRRHEBCYP26A1
SCHEMBL1004177 0.85 MAPT (0.38) ESR1ESR2LMNAKDM4EHPGD

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 9 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
US-20090099248-A1 INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2009-04-16 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 (2 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-20090099248-A1 INHIBITORS OF D-AMINO ACID OXIDASE DDO, DAO, ACHE ESR1 3231/4885ESR2 4183/4885DAO 2/4885
US-20100029737-A1 INHIBITORS OF D-AMINO ACID OXIDASE DDO, DAO, ACHE ESR1 3231/4885ESR2 4183/4885DAO 2/4885

“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.