SCHEMBL2074424

SCHEMBL2074424

COC(=O)c1cc2c([nH]1)CCC2Cc1cccc(F)c1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.41
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
MMP12 P39900 1/20 0.41
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.40
KMT2A Q03164 7/20 0.39
MEN1 O00255 3/20 0.39
GPR55 Q9Y2T6 2/20 0.39
HCRTR1 O43613 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.38
HTR6 P50406 1/20 0.37
ESR1 P03372 1/20 0.37
ESR2 Q92731 1/20 0.37
IDE P14735 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
MAPT P10636 1/20 0.36
ATM Q13315 1/20 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
SCHEMBL1003014 0.88 MMP2 (0.39) MMP2MMP9MMP12ALDH1A1KMT2A
SCHEMBL1004655 0.88 NPC1 (0.37) MMP1MMP2MMP9MMP12KMT2A
SCHEMBL1004824 0.88 ALDH1A1 (0.41) MMP2ALDH1A1LMNAKMT2AMEN1
SCHEMBL12952158 0.87 ESR1 (0.37) MMP2ALDH1A1KMT2AMEN1HTR6
SCHEMBL1005522 0.87 POLB (0.42) MMP1MMP2MMP9MMP12KMT2A
SCHEMBL1004611 0.87 MMP1 (0.45) MMP1MMP2MMP9MMP12ALDH1A1
SCHEMBL1005233 0.87 ESR1 (0.37) MMP2ALDH1A1LMNAGPR55ESR1
SCHEMBL1005383 0.87 MMP1 (0.41) MMP1MMP2MMP9MMP12KMT2A
SCHEMBL1003672 0.86 HCAR2 (0.40) MMP1MMP2MMP9MMP12ALDH1A1
SCHEMBL2076793 0.86 CDKN1A (0.45) ALDH1A1ESR1ESR2

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 MMP1 2976/4885MMP2 1641/4885MMP9 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.