SCHEMBL1004704

SCHEMBL1004704

COC(=O)c1cc2c([nH]1)/C(=C/c1cccc(Cl)c1)CC2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 2/20 0.48
CYP1A2 P05177 1/20 0.44
EGFR P00533 1/20 0.44
NPC1 O15118 2/20 0.42
MAPT P10636 2/20 0.42
RAB9A P51151 2/20 0.42
POLB P06746 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MIF P14174 4/20 0.41
MAOB P27338 3/20 0.40
MAOA P21397 1/20 0.40
MEN1 O00255 1/20 0.39
PKM P14618 1/20 0.39
KMT2A Q03164 1/20 0.39
ATM Q13315 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SLC6A3 Q01959 4/20 0.39
SLC6A2 P23975 1/20 0.38
ALDH1A1 P00352 1/20 0.37
GSK3A P49840 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
SCHEMBL1004705 1.00 XDH (0.48) XDHCYP1A2EGFRNPC1MAPT
SCHEMBL1005747 0.88 MIF (0.45) XDHCYP1A2EGFRNPC1MAPT
SCHEMBL1005746 0.88 MIF (0.45) XDHCYP1A2EGFRNPC1MAPT
SCHEMBL1005090 0.86 NPC1 (0.52) XDHEGFRNPC1MAPTRAB9A
SCHEMBL1005091 0.86 NPC1 (0.52) XDHEGFRNPC1MAPTRAB9A
SCHEMBL1004890 0.75 ALDH1A1 (0.46) NPC1MAPTRAB9ASMN1; SMN2MIF
SCHEMBL1004891 0.75 ALDH1A1 (0.46) NPC1MAPTRAB9ASMN1; SMN2MIF
SCHEMBL1004097 0.73 CYP1A2 (0.46) CYP1A2NPC1MAPTRAB9APOLB
SCHEMBL1054865 0.73 CYP1A2 (0.46) CYP1A2NPC1MAPTRAB9APOLB
SCHEMBL1004098 0.73 CYP1A2 (0.46) CYP1A2NPC1MAPTRAB9APOLB

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 XDH 9/4885CYP1A2 2041/4885EGFR 3591/4885

“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.