SCHEMBL1004812

SCHEMBL1004812

COC(=O)c1cc2c([nH]1)CCCC2Cc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
MMP2 P08253 1/20 0.39
KDR P35968 2/20 0.38
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
KMT2A Q03164 6/20 0.36
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
OPRK1 P41145 1/20 0.36
HTT P42858 1/20 0.36
XDH P47989 1/20 0.36
LMNA P02545 1/20 0.36
MEN1 O00255 5/20 0.36
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 1/20 0.36
GAA P10253 1/20 0.35
NPC1 O15118 1/20 0.35
MAPKAPK2 P49137 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 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
SCHEMBL1004824 0.93 ALDH1A1 (0.41) ALDH1A1MMP2KMT2AXDHLMNA
SCHEMBL2074484 0.89 RAB9A (0.42) ALDH1A1KDRKMT2ALMNAMEN1
SCHEMBL1004094 0.87 KDR (0.41) ALDH1A1KDRESR1ESR2KMT2A
SCHEMBL1004866 0.86 CYP26A1 (0.42) ALDH1A1MMP2KMT2AXDHLMNA
SCHEMBL1004070 0.84 MMP2 (0.42) ALDH1A1MMP2ESR1ESR2HTT
SCHEMBL12844881 0.82 MAPT (0.38) ALDH1A1MMP2ESR1ESR2KMT2A
SCHEMBL1003014 0.82 MMP2 (0.39) ALDH1A1MMP2ESR1ESR2KMT2A
SCHEMBL1004655 0.81 NPC1 (0.37) MMP2ESR1ESR2KMT2AMEN1
SCHEMBL1004177 0.81 MAPT (0.38) ALDH1A1MMP2ESR1ESR2LMNA
SCHEMBL1004000 0.81 SMN1; SMN2 (0.36) ALDH1A1ESR1ESR2KMT2AHTT

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110092559-A1 PYRROLE AND PYRAZOLE DAAO INHIBITORS SUNOVION PHARMACEUTICALS INC. (US) 2011-04-21 US disclosed
US-20110092559-A1 PYRROLE AND PYRAZOLE DAAO INHIBITORS SUNOVION PHARMACEUTICALS INC. (US) 2011-04-21 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
US-7902252-B2 Inhibitors of D-amino acid oxidase SEPRACOR, INC. (US) 2011-03-08 US disclosed
US-7893098-B2 Pyrrole and pyrazole DAAO inhibitors SEPRACOR INC. (US) 2011-02-22 US disclosed
US-7893098-B2 Pyrrole and pyrazole DAAO inhibitors SEPRACOR INC. (US) 2011-02-22 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-20090170916-A1 Pyrrole and Pyrazole DAAO Inhibitors SEPRACOR INC. (US) 2009-07-02 US disclosed
EP-2074092-A2 INHIBITORS OF D-AMINO ACID OXIDASE Sepracor Inc. (US) 2009-07-01 EP disclosed
US-20090099248-A1 INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2009-04-16 US disclosed
US-7488747-B2 Pyrrole and pyrazole DAAO inhibitors SEPRACOR INC. (US) 2009-02-10 US disclosed
US-7488747-B2 Pyrrole and pyrazole DAAO inhibitors SEPRACOR INC. (US) 2009-02-10 US disclosed
WO-2008089453-A2 INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2008-07-24 WO disclosed
EP-1709004-A2 PYRROLE AND PYRAZOLE DAAO INHIBITORS Sepracor Inc. (US) 2006-10-11 EP disclosed
WO-2005066135-A2 PYRROLE AND PYRAZOLE DAAO INHIBITORS SEPRACOR INC. (US) 2005-07-21 WO disclosed
WO-2005066135-A2 PYRROLE AND PYRAZOLE DAAO INHIBITORS SEPRACOR INC. (US) 2005-07-21 WO disclosed
US-20050143443-A1 Pyrrole and pyrazole DAAO inhibitors SEPRACOR INC. (US) 2005-06-30 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 (5 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-20110092559-A1 PYRROLE AND PYRAZOLE DAAO INHIBITORS DDO, DAO, SRR ALDH1A1 3634/4885MMP2 4071/4885KDR 4863/4885
US-20050143443-A1 Pyrrole and pyrazole DAAO inhibitors DDO, DAO, SRR ALDH1A1 3634/4885MMP2 4071/4885KDR 4863/4885
US-20090099248-A1 INHIBITORS OF D-AMINO ACID OXIDASE DDO, DAO, ACHE ALDH1A1 465/4885MMP2 1641/4885KDR 4851/4885
US-20100029737-A1 INHIBITORS OF D-AMINO ACID OXIDASE DDO, DAO, ACHE ALDH1A1 465/4885MMP2 1641/4885KDR 4851/4885
US-20090170916-A1 Pyrrole and Pyrazole DAAO Inhibitors DDO, DAO, SRR ALDH1A1 3634/4885MMP2 4071/4885KDR 4863/4885

“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.