SCHEMBL1004723

SCHEMBL1004723

COC(=O)c1cc2c([nH]1)CCC2C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.42
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
GAA P10253 4/20 0.38
KDM4E B2RXH2 4/20 0.38
GLA P06280 3/20 0.38
XDH P47989 3/20 0.36
MAPK1 P28482 1/20 0.36
MAPT P10636 1/20 0.34
ULK1 O75385 1/20 0.33
HSD17B10 Q99714 1/20 0.33
BAZ2B Q9UIF8 1/20 0.33
BAZ2A Q9UIF9 1/20 0.33
DRD2 P14416 1/20 0.32
DRD4 P21917 1/20 0.32
DRD3 P35462 1/20 0.32
HTR5A P47898 1/20 0.32
PDK2 Q15119 1/20 0.32
PDK4 Q16654 1/20 0.32
ALDH1A1 P00352 2/20 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
SCHEMBL12777380 0.82 SMN1; SMN2 (0.38) KMT2AKDM4EMAPTHSD17B10ALDH1A1
SCHEMBL1004381 0.82 SMN1; SMN2 (0.38) KMT2AKDM4EMAPTHSD17B10ALDH1A1
SCHEMBL26088316 0.81 KDM4E (0.45) CYP1A2KMT2AMEN1GAAKDM4E
SCHEMBL1003825 0.81 CYP1A2 (0.40) CYP1A2KMT2AMEN1GAAKDM4E
SCHEMBL30923283 0.81 KDM4E (0.45) CYP1A2KMT2AMEN1GAAKDM4E
SCHEMBL1002588 0.79 XDH (0.39) CYP1A2KMT2AMEN1GAAKDM4E
SCHEMBL1002764 0.79 CYP1A2 (0.38) CYP1A2KMT2AMEN1BAZ2BBAZ2A
SCHEMBL1004326 0.77 XDH (0.40) CYP1A2KMT2AMEN1GAAKDM4E
SCHEMBL1005096 0.76 CYP1A2 (0.36) CYP1A2KMT2AMEN1XDHMAPK1
SCHEMBL1005518 0.76 TP53 (0.40) CYP1A2KMT2AMEN1XDHMAPK1

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 CYP1A2 2041/4885KMT2A 1372/4885MEN1 4856/4885
US-20100029737-A1 INHIBITORS OF D-AMINO ACID OXIDASE DDO, DAO, ACHE CYP1A2 2041/4885KMT2A 1372/4885MEN1 4856/4885

“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.