SCHEMBL1004479

SCHEMBL1004479

COC(=O)c1cc2c([nH]1)CC/C2=C\c1cccc(-c2ccc[nH]2)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.34
MAPT P10636 3/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
XDH P47989 1/20 0.32
SLC6A3 Q01959 4/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
LMNA P02545 1/20 0.32
CYP1A1 P04798 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
HPGD P15428 1/20 0.32
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
CYP1B1 Q16678 1/20 0.32
MEN1 O00255 1/20 0.31
PKM P14618 1/20 0.31
KMT2A Q03164 1/20 0.31
ATM Q13315 1/20 0.31

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
SCHEMBL2077042 1.00 CNR1 (0.34) CNR1MAPTSMN1; SMN2XDHSLC6A3
SCHEMBL1004044 0.86 GAA (0.38) MAPTXDHSLC6A3NPC1RAB9A
SCHEMBL1004042 0.86 GAA (0.38) MAPTXDHSLC6A3NPC1RAB9A
SCHEMBL1004455 0.84 HDAC2 (0.40) RELAMIFGAAMAOAMAOB
SCHEMBL1004456 0.84 HDAC2 (0.40) RELAMIFGAAMAOAMAOB
SCHEMBL1002793 0.82 MAOA (0.40) MAPTSMN1; SMN2XDHNPC1RAB9A
SCHEMBL1002792 0.82 MAOA (0.40) MAPTSMN1; SMN2XDHNPC1RAB9A
SCHEMBL1002794 0.82 MAOA (0.40) MAPTSMN1; SMN2XDHNPC1RAB9A
SCHEMBL1005559 0.81 NR4A2 (0.44) MIF
SCHEMBL1003658 0.81 SLC6A4 (0.41) MAPTSLC6A3RAB9AMEN1KMT2A

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 3 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
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

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 CNR1 2978/4885MAPT 444/4885SMN1; SMN2 903/4885

“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.