SCHEMBL1004115

SCHEMBL1004115

COC(=O)c1cc2c([nH]1)C(Cc1cccc(Br)c1)CC2

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 2/20 0.41
MMP1 P03956 1/20 0.41
MMP9 P14780 1/20 0.41
MMP12 P39900 1/20 0.41
CHRM2 P08172 2/20 0.38
CHRM1 P11229 2/20 0.38
CHRM3 P20309 2/20 0.38
KDM4E B2RXH2 1/20 0.38
POLB P06746 1/20 0.38
CDKN1A P38936 1/20 0.37
ESR1 P03372 1/20 0.37
ESR2 Q92731 1/20 0.37
TSHR P16473 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
KMT2A Q03164 2/20 0.36
SIGMAR1 Q99720 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 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
SCHEMBL1003759 0.88 ESR1 (0.51) KDM4ECDKN1AESR1ESR2ALDH1A1
SCHEMBL1002980 0.88 ESR1 (0.40) MMP2MMP1MMP9MMP12CHRM2
SCHEMBL1003764 0.87 MMP1 (0.45) MMP2MMP1MMP9MMP12KMT2A
SCHEMBL2076153 0.87 POLB (0.44) MMP2MMP1MMP9MMP12POLB
SCHEMBL1005383 0.83 MMP1 (0.41) MMP2MMP1MMP9MMP12CHRM2
SCHEMBL1003968 0.80 TSHR (0.44) POLBTSHRNPSR1KMT2AMEN1
SCHEMBL1004272 0.78 PPARD (0.44) MMP2MMP1MMP9MMP12CHRM2
SCHEMBL1005338 0.77 RAB9A (0.44) KDM4EKMT2AMEN1ALDH1A1
SCHEMBL1004644 0.75 METAP2 (0.35) POLBKMT2AMEN1ALDH1A1
SCHEMBL1004646 0.75 HCAR2 (0.42)

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 6 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
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

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 MMP2 1641/4885MMP1 2976/4885MMP9 1539/4885

“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.