SCHEMBL1004546

SCHEMBL1004546

COC(=O)c1cc2c([nH]1)CCC2c1cccc(Br)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
POLB P06746 3/20 0.40
RECQL P46063 2/20 0.40
LMNA P02545 1/20 0.40
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
MAPT P10636 2/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
GAA P10253 2/20 0.36
CYP1A2 P05177 1/20 0.36
ALOX5 P09917 1/20 0.36
ALDH1A1 P00352 2/20 0.36
HDAC4 P56524 1/20 0.35
GLA P06280 1/20 0.35
KDM1A O60341 1/20 0.35
DDB1 Q16531 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
SCHEMBL2075976 0.86 MEN1 (0.39) TSHRPOLBMAPTKMT2AMEN1
SCHEMBL1002919 0.86 SLC6A3 (0.44) NPSR1POLBLMNASLC6A4SLC6A3
SCHEMBL12951917 0.86 DDB1 (0.45) POLBSLC6A4SLC6A3KMT2AMEN1
SCHEMBL1003641 0.86 ALDH1A1 (0.43) LMNAMAPTKMT2AMEN1ALDH1A1
SCHEMBL2077109 0.83 CACNA1F (0.45) SLC6A4SLC6A3KMT2A
SCHEMBL1005518 0.81 TP53 (0.40) POLBSLC6A4SLC6A3MAPTKMT2A
SCHEMBL1003968 0.81 TSHR (0.44) TSHRNPSR1POLBRECQLLMNA
SCHEMBL1004558 0.81 ATM (0.36) SLC6A4SLC6A3KDM1A
SCHEMBL1003741 0.81 SLC6A3 (0.44) LMNASLC6A4SLC6A3KMT2ARAB9A
SCHEMBL1003019 0.81 KDM4E (0.42) NPSR1POLBLMNASLC6A4SLC6A3

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 TSHR 4620/4885NPSR1 1897/4885POLB 997/4885

“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.