SCHEMBL1002792

SCHEMBL1002792

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
ALDH1A1 P00352 3/20 0.39
MAPT P10636 3/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
GAA P10253 3/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
HTT P42858 1/20 0.38
XDH P47989 2/20 0.36
PIM1 P11309 1/20 0.36
PIM2 Q9P1W9 1/20 0.36
NAT1 P18440 1/20 0.35
GLA P06280 2/20 0.35
PKM P14618 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
SCHEMBL1002793 1.00 MAOA (0.40) MAOAMAOBALDH1A1MAPTMEN1
SCHEMBL1002794 1.00 MAOA (0.40) MAOAMAOBALDH1A1MAPTMEN1
SCHEMBL2076608 0.88 XDH (0.42) MAPTMEN1KMT2AGAANPC1
SCHEMBL1004067 0.88 XDH (0.42) MAPTMEN1KMT2AGAANPC1
SCHEMBL1004066 0.88 XDH (0.42) MAPTMEN1KMT2AGAANPC1
SCHEMBL1004245 0.87 HSD11B1 (0.48) MAOAMAOBMAPTGAANPSR1
SCHEMBL2074331 0.87 MAPT (0.49) MAOAMAOBALDH1A1MAPTMEN1
SCHEMBL2077301 0.87 IKBKB (0.43) MAOAMAOBALDH1A1MAPTMEN1
SCHEMBL2077297 0.87 IKBKB (0.43) MAOAMAOBALDH1A1MAPTMEN1
SCHEMBL2074329 0.87 MAPT (0.49) MAOAMAOBALDH1A1MAPTMEN1

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 MAOA 15/4885MAOB 18/4885ALDH1A1 465/4885

“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.