SCHEMBL3301580

SCHEMBL3301580

O=C(O)c1ccc(OCc2cccc(Br)c2)cc1O

nearest known ligand 0.78

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAOB P27338 13/20 0.78
MAOA P21397 7/20 0.78
PARP15 Q460N3 3/20 0.63
PARP10 Q53GL7 2/20 0.63
MRGPRX4 Q96LA9 2/20 0.63
FFAR1 O14842 1/20 0.60
FFAR4 Q5NUL3 1/20 0.60
PARP14 Q460N5 1/20 0.59

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
SCHEMBL31580801 0.90 MAOB (0.79) MAOBMAOAPARP15PARP10MRGPRX4
SCHEMBL13298042 0.85 MAOB (0.77) MAOBMAOAPARP15PARP10MRGPRX4
SCHEMBL3302570 0.85 MAOB (0.73) MAOBMAOAPARP15PARP10MRGPRX4
SCHEMBL1519064 0.85 MAOB (0.77) MAOBMAOA
SCHEMBL3298441 0.84 MAOB (0.76) MAOBMAOAMRGPRX4FFAR1FFAR4
SCHEMBL3296263 0.83 NR4A2 (0.67) MAOBMAOAMRGPRX4FFAR1FFAR4
SCHEMBL15615441 0.83 MAOB (0.62) MAOBMAOAMRGPRX4
SCHEMBL3299848 0.81 MAOB (0.62) MAOBMAOAMRGPRX4
SCHEMBL13978305 0.80 MAOB (0.54) MAOBMAOAMRGPRX4
SCHEMBL3299012 0.80 NR4A2 (0.70) MRGPRX4

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 3217/4885PARP15 1802/4885

“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.