SCHEMBL1003968

SCHEMBL1003968

COC(=O)c1cc2c([nH]1)C(c1cccc(Br)c1)CC2

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
POLB P06746 2/20 0.40
RECQL P46063 2/20 0.40
LMNA P02545 1/20 0.40
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
HDAC4 P56524 1/20 0.38
MAPT P10636 3/20 0.37
KDM1A O60341 1/20 0.36
GAA P10253 2/20 0.36
CYP1A2 P05177 1/20 0.36
ALOX5 P09917 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GLA P06280 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
SCHEMBL2076913 0.88 MEN1 (0.42) TSHRPOLBKMT2AMEN1NPC1
SCHEMBL1004641 0.86 ALDH1A1 (0.43) LMNAKMT2AMEN1NPC1MAPT
SCHEMBL1006816 0.86 SLC6A3 (0.44) NPSR1POLBLMNAKMT2AMEN1
SCHEMBL12952215 0.86 DDB1 (0.45) GAACYP1A2ALDH1A1GLA
SCHEMBL2074454 0.83 CACNA1F (0.43)
SCHEMBL1004546 0.81 TSHR (0.44) TSHRNPSR1POLBRECQLLMNA
SCHEMBL1004115 0.80 MMP2 (0.41) TSHRNPSR1POLBKMT2AMEN1
SCHEMBL1005339 0.73 LMNA (0.42) NPSR1LMNAKMT2AMEN1SLC6A3
SCHEMBL2074417 0.73 HCAR2 (0.39) TSHRLMNAKMT2AMEN1NPC1
SCHEMBL1003998 0.70 ALDH1A1 (0.46) POLBLMNAKMT2AMEN1NPC1

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 7 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
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.