SCHEMBL3288071

SCHEMBL3288071

NCCCC=CCc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.62
TOP1 P11387 1/20 0.58
MAOA P21397 1/20 0.48
LOXL2 Q9Y4K0 2/20 0.46
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
ARG2 P78540 1/20 0.44
HTR2A P28223 4/20 0.43
CYP2A6 P11509 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TAAR1 Q96RJ0 1/20 0.43
KCNH2 Q12809 2/20 0.39
SIGMAR1 Q99720 2/20 0.38
HRH1 P35367 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
SCHEMBL5956337 0.87 MAOB (0.68) MAOBTOP1MAOALOXL2CA1
SCHEMBL7367782 0.81 MAOA (0.50) MAOBTOP1MAOALOXL2HTR2A
SCHEMBL795584 0.81 MAOB (0.65) MAOBTOP1MAOALOXL2CA1
SCHEMBL22268779 0.79 MAOB (0.47) MAOBTOP1MAOACA1CA2
SCHEMBL24768674 0.79 MAOB (0.62) MAOBTOP1CA1CA2ARG2
SCHEMBL19031833 0.79 MAOB (0.62) MAOBTOP1CA1CA2ARG2
SCHEMBL28645454 0.79 MAOB (0.62) MAOBTOP1MAOACA1CA2
SCHEMBL96844 0.79 TOP1 (0.62) MAOBTOP1CA1CA2ARG2
SCHEMBL96845 0.79 TOP1 (0.62) MAOBTOP1CA1CA2ARG2
SCHEMBL19031834 0.79 MAOB (0.62) MAOBTOP1CA1CA2ARG2

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-7723376-B2 2-oxo-heterocyclic compounds and pharmaceutical compositions KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2010-05-25 US disclosed
US-20060173043-A1 Use of novel 2-oxo-heterocyclic compounds and the pharmaceutical compositions comprising the same KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2006-08-03 US disclosed
EP-1663201-A1 A USE OF NOVEL 2-OXO-HETEROCYCLIC COMPOUNDS AND THE PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME Korea Research Institute of Bioscience and Biotechnology (KR) 2006-06-07 EP disclosed
WO-2005004861-A1 A USE OF NOVEL 2-OXO-HETEROCYCLIC COMPOUNDS AND THE PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2005-01-20 WO 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-20060173043-A1 Use of novel 2-oxo-heterocyclic compounds and the pharmaceutical compositions comprising the same MALT1, BRCA1, MCL1 MAOB 1657/4885TOP1 1571/4885MAOA 1962/4885

“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.