SCHEMBL1002831

SCHEMBL1002831

COC(=O)c1cc2c([nH]1)CCC2Cc1cc(C)cc(C)c1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
XDH P47989 3/20 0.38
CYP1A2 P05177 1/20 0.35
LMNA P02545 2/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
MAOA P21397 1/20 0.32
CISD1 Q9NZ45 1/20 0.32
SLC7A5 Q01650 1/20 0.32
MAPT P10636 3/20 0.31
NPSR1 Q6W5P4 1/20 0.31
RAB9A P51151 2/20 0.30
ALPL P05186 1/20 0.30
POLB P06746 1/20 0.30
CNR2 P34972 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL12844881 0.89 MAPT (0.38) XDHCYP1A2MEN1KMT2AMAPT
SCHEMBL1003014 0.89 MMP2 (0.39) MEN1KMT2AMAPTPOLBKDM4E
SCHEMBL1004549 0.86 TPMT (0.34) LMNAMAOACISD1MAPTNPSR1
SCHEMBL1004824 0.85 ALDH1A1 (0.41) XDHLMNAMEN1KMT2AKDM4E
SCHEMBL1004248 0.85 NPC1 (0.35) CYP1A2LMNAMEN1KMT2AMAPT
SCHEMBL1004655 0.83 NPC1 (0.37) CYP1A2MEN1KMT2AMAPTRAB9A
SCHEMBL1004177 0.83 MAPT (0.38) LMNAMAPTKDM4EALDH1A1
SCHEMBL1004000 0.83 SMN1; SMN2 (0.36) XDHLMNAMEN1KMT2AMAPT
SCHEMBL12952158 0.83 ESR1 (0.37) MEN1KMT2AKDM4EALDH1A1
SCHEMBL1003747 0.82 CA1 (0.44) MEN1KMT2AKDM4EALDH1A1

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 XDH 9/4885CYP1A2 2041/4885LMNA 4552/4885

“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.