SCHEMBL3298441

SCHEMBL3298441

O=C(O)c1ccc(OCc2ccc(Br)cc2)cc1O

nearest known ligand 0.76

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOB P27338 9/20 0.76
MAOA P21397 6/20 0.76
RXRA P19793 1/20 0.63
RXRB P28702 1/20 0.63
FFAR1 O14842 1/20 0.56
FFAR4 Q5NUL3 1/20 0.56
MRGPRX4 Q96LA9 1/20 0.54
PTGES O14684 1/20 0.53
MEN1 O00255 1/20 0.53
SLC26A4 O43511 1/20 0.53
BLM P54132 1/20 0.53
KMT2A Q03164 1/20 0.53
ATM Q13315 1/20 0.53
MCL1 Q07820 1/20 0.51
SMPD1 P17405 1/20 0.51

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
SCHEMBL8941559 0.89 MAOB (0.63) MAOBMAOAMCL1
SCHEMBL1519064 0.86 MAOB (0.77) MAOBMAOAMEN1KMT2AMCL1
SCHEMBL23812253 0.85 RXRA (0.63) MAOBMAOARXRARXRBMCL1
SCHEMBL13978183 0.85 RXRA (0.63) MAOBMAOARXRARXRBKMT2A
SCHEMBL8069592 0.85 MAOB (0.62) MAOBMAOAMCL1
SCHEMBL3296065 0.85 MAOB (0.76) MAOBMAOAMCL1
SCHEMBL3301580 0.84 MAOB (0.78) MAOBMAOAFFAR1FFAR4MRGPRX4
SCHEMBL3297175 0.84 MCL1 (0.68) MAOBMAOAFFAR1MRGPRX4MCL1
SCHEMBL3299304 0.82 MCL1 (0.59) MAOBMAOAFFAR1MCL1
SCHEMBL3296874 0.82 MCL1 (0.59) MAOBMAOARXRARXRBMCL1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060173058-A1 Kcnq channel modulating compounds and their pharmaceutical use NEUROSEARCH A/S (DK) 2006-08-03 US claimed
EP-1603858-A2 KCNQ CHANNEL MODULATING COMPOUNDS AND THEIR PHARMACEUTICAL USE NeuroSearch A/S (DK) 2005-12-14 EP claimed
WO-2004080377-A2 KCNQ CHANNEL MODULATING COMPOUNDS AND THEIR PHARMACEUTICAL USE NEUROSEARCH A/S (DK) 2004-09-23 WO claimed
US-7741352-B2 KCNQ channel modulating compounds and their pharmaceutical use NEUROSEARCH A/S (DK) 2010-06-22 US disclosed
US-7741352-B2 KCNQ channel modulating compounds and their pharmaceutical use NEUROSEARCH A/S (DK) 2010-06-22 US disclosed
US-7741352-B2 KCNQ channel modulating compounds and their pharmaceutical use NEUROSEARCH A/S (DK) 2010-06-22 US disclosed
US-20060173058-A1 Kcnq channel modulating compounds and their pharmaceutical use NEUROSEARCH A/S (DK) 2006-08-03 US disclosed
EP-1603858-A2 KCNQ CHANNEL MODULATING COMPOUNDS AND THEIR PHARMACEUTICAL USE NeuroSearch A/S (DK) 2005-12-14 EP disclosed
WO-2004080377-A2 KCNQ CHANNEL MODULATING COMPOUNDS AND THEIR PHARMACEUTICAL USE NEUROSEARCH A/S (DK) 2004-09-23 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-20060173058-A1 Kcnq channel modulating compounds and their pharmaceutical use KCNQ1, KCNQ2, KCNQ5 MAOB 2939/4885MAOA 3217/4885RXRA 3310/4885

“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.