SCHEMBL1005747

SCHEMBL1005747

COC(=O)c1cc2c([nH]1)C(=Cc1ccccc1)CC2

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MIF P14174 3/20 0.45
MAOB P27338 6/20 0.44
CYP1A2 P05177 1/20 0.41
XDH P47989 2/20 0.40
RAB9A P51151 5/20 0.39
MAPT P10636 4/20 0.39
POLB P06746 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 4/20 0.39
ALDH1A1 P00352 2/20 0.39
EGFR P00533 1/20 0.39
LMNA P02545 1/20 0.39
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
PKM P14618 2/20 0.38
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL1005746 1.00 MIF (0.45) MIFMAOBCYP1A2XDHRAB9A
SCHEMBL1005090 0.88 NPC1 (0.52) MIFMAOBXDHRAB9AMAPT
SCHEMBL1005091 0.88 NPC1 (0.52) MIFMAOBXDHRAB9AMAPT
SCHEMBL1004704 0.88 XDH (0.48) MIFMAOBCYP1A2XDHRAB9A
SCHEMBL1004705 0.88 XDH (0.48) MIFMAOBCYP1A2XDHRAB9A
SCHEMBL1004891 0.86 ALDH1A1 (0.46) MIFMAOBRAB9AMAPTSMN1; SMN2
SCHEMBL1004890 0.86 ALDH1A1 (0.46) MIFMAOBRAB9AMAPTSMN1; SMN2
SCHEMBL1004097 0.85 CYP1A2 (0.46) MIFMAOBCYP1A2RAB9AMAPT
SCHEMBL1054865 0.85 CYP1A2 (0.46) MIFMAOBCYP1A2RAB9AMAPT
SCHEMBL1004098 0.85 CYP1A2 (0.46) MIFMAOBCYP1A2RAB9AMAPT

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 4 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
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 MIF 4580/4885MAOB 18/4885CYP1A2 2041/4885
US-20100029737-A1 INHIBITORS OF D-AMINO ACID OXIDASE DDO, DAO, ACHE MIF 4580/4885MAOB 18/4885CYP1A2 2041/4885

“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.