SCHEMBL3299012

SCHEMBL3299012

O=C(O)c1cccc(-c2cccc(COc3ccc(C(=O)O)c(O)c3)c2)c1

nearest known ligand 0.70

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 4/20 0.70
MRGPRX4 Q96LA9 12/20 0.66
NR1H4 Q96RI1 2/20 0.57
TP53 P04637 2/20 0.56
PKM P14618 2/20 0.56
NFKB1 P19838 2/20 0.56
NFKB2 Q00653 2/20 0.56
RELA Q04206 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
RAB9A P51151 1/20 0.56
RXFP1 Q9HBX9 1/20 0.56
CYP4F2 P78329 1/20 0.54
CYP4A11 Q02928 1/20 0.54

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
SCHEMBL3301459 0.91 MAOB (0.61) NR4A2MRGPRX4NR1H4
SCHEMBL3294761 0.91 NR4A2 (0.61) NR4A2MRGPRX4NR1H4
SCHEMBL3296263 0.91 NR4A2 (0.67) NR4A2MRGPRX4NR1H4
SCHEMBL3296016 0.86 NR4A2 (0.54) NR4A2MRGPRX4
SCHEMBL3294945 0.85 ANO1 (0.60) NR4A2MRGPRX4
SCHEMBL3297208 0.85 FFAR1 (0.61) NR4A2MRGPRX4TP53PKMNFKB1
SCHEMBL3299848 0.85 MAOB (0.62) NR4A2MRGPRX4
SCHEMBL3302205 0.84 MRGPRX4 (0.60) NR4A2MRGPRX4
SCHEMBL3297306 0.83 NR1H4 (0.55) NR4A2MRGPRX4NR1H4
SCHEMBL3296881 0.83 NR4A2 (0.51) NR4A2MRGPRX4

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 NR4A2 2061/4885MRGPRX4 579/4885NR1H4 1225/4885

“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.