SCHEMBL1004567

SCHEMBL1004567

COC(=O)c1cc2c([nH]1)CC(Cc1ccccc1)C2

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
MMP2 P08253 1/20 0.42
KMT2A Q03164 7/20 0.40
MEN1 O00255 6/20 0.40
NPC1 O15118 1/20 0.40
KDM4E B2RXH2 1/20 0.39
MAPK1 P28482 1/20 0.39
LTB4R Q15722 1/20 0.39
LTB4R2 Q9NPC1 1/20 0.39
XDH P47989 1/20 0.39
LMNA P02545 2/20 0.39
GAA P10253 2/20 0.38
RAB9A P51151 1/20 0.38
PKM P14618 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL1006392 0.85 CYP19A1 (0.41) KMT2AMEN1KDM4ELTB4RLTB4R2
SCHEMBL12777442 0.85 CYP19A1 (0.41) KMT2AMEN1KDM4ELTB4RLTB4R2
SCHEMBL1004076 0.77 ACHE (0.43) ALDH1A1MMP2KMT2AXDHLMNA
SCHEMBL1004824 0.75 ALDH1A1 (0.41) ALDH1A1MMP2KMT2AMEN1NPC1
SCHEMBL1003990 0.75 CYP1A2 (0.44) ALDH1A1KMT2AMEN1NPC1KDM4E
SCHEMBL1004812 0.73 ALDH1A1 (0.39) ALDH1A1MMP2KMT2AMEN1NPC1
SCHEMBL8162461 0.72 DAO (0.41) ALDH1A1KDM4E
SCHEMBL1004866 0.69 CYP26A1 (0.42) ALDH1A1MMP2KMT2AMEN1XDH
SCHEMBL26020911 0.69 SLC6A5 (0.47) LMNA
SCHEMBL4600767 0.69 KDM4E (0.51) ALDH1A1KMT2AMEN1KDM4EMAPK1

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 9 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
US-20090099248-A1 INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2009-04-16 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 (2 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-20090099248-A1 INHIBITORS OF D-AMINO ACID OXIDASE DDO, DAO, ACHE ALDH1A1 465/4885MMP2 1641/4885KMT2A 1372/4885
US-20100029737-A1 INHIBITORS OF D-AMINO ACID OXIDASE DDO, DAO, ACHE ALDH1A1 465/4885MMP2 1641/4885KMT2A 1372/4885

“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.