SCHEMBL1006537

SCHEMBL1006537

COC(=O)c1cc2c([nH]1)CCC2c1ccc(Cc2ccccc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
MMP2 P08253 1/20 0.38
LMNA P02545 1/20 0.37
PDGFRA P16234 1/20 0.37
PRKACA P17612 1/20 0.37
KDR P35968 1/20 0.37
CDK8 P49336 1/20 0.37
CDK9 P50750 1/20 0.37
ROCK1 Q13464 1/20 0.37
CLK4 Q9HAZ1 1/20 0.37
DYRK1B Q9Y463 1/20 0.37
TP53 P04637 2/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
GAA P10253 1/20 0.36
TACR1 P25103 1/20 0.36
TACR3 P29371 1/20 0.36
RNASEH1 O60930 1/20 0.36
PKM P14618 1/20 0.36
MAPT P10636 2/20 0.36

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
SCHEMBL1003741 0.87 SLC6A3 (0.44) LMNAPDGFRAPRKACAKDRCDK8
SCHEMBL1003069 0.87 PDGFRA (0.38) ALDH1A1LMNAPDGFRAPRKACAKDR
SCHEMBL1005518 0.83 TP53 (0.40) ALDH1A1TP53MEN1KMT2AMAPT
SCHEMBL1003019 0.82 KDM4E (0.42) ALDH1A1LMNAGAAMAPTNPSR1
SCHEMBL1004824 0.79 ALDH1A1 (0.41) ALDH1A1MMP2LMNAMEN1KMT2A
SCHEMBL12951917 0.78 DDB1 (0.45) ALDH1A1MEN1KMT2AGAACYP1A2
SCHEMBL1004546 0.78 TSHR (0.44) ALDH1A1LMNAMEN1KMT2AGAA
SCHEMBL1004558 0.78 ATM (0.36)
SCHEMBL1002919 0.78 SLC6A3 (0.44) ALDH1A1LMNATP53MEN1KMT2A
SCHEMBL1003641 0.78 ALDH1A1 (0.43) ALDH1A1LMNAMEN1KMT2APKM

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 ALDH1A1 465/4885MMP2 1641/4885LMNA 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.