SCHEMBL3296016

SCHEMBL3296016

Nc1cccc(-c2cccc(COc3ccc(C(=O)O)c(O)c3)c2)c1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 1/20 0.54
MCL1 Q07820 2/20 0.53
MAOB P27338 5/20 0.53
MAOA P21397 3/20 0.51
MRGPRX4 Q96LA9 2/20 0.51
FFAR1 O14842 2/20 0.49
AKR1B1 P15121 1/20 0.49
FFAR4 Q5NUL3 1/20 0.49
MAPT P10636 3/20 0.48
HTT P42858 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
ALDH1A1 P00352 1/20 0.48
CYP3A4 P08684 1/20 0.48
GAA P10253 1/20 0.48
ESR2 Q92731 1/20 0.48
KDM4E B2RXH2 1/20 0.48
PTPN1 P18031 1/20 0.48

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
SCHEMBL3303483 0.91 MCL1 (0.58) NR4A2MCL1MAOBMAOAMRGPRX4
SCHEMBL3296263 0.90 NR4A2 (0.67) NR4A2MCL1MAOBMAOAMRGPRX4
SCHEMBL3299012 0.86 NR4A2 (0.70) NR4A2MRGPRX4
SCHEMBL3294945 0.84 ANO1 (0.60) NR4A2MCL1MAOBMAOAMRGPRX4
SCHEMBL3297208 0.84 FFAR1 (0.61) NR4A2MCL1MAOBMAOAMRGPRX4
SCHEMBL3299848 0.84 MAOB (0.62) NR4A2MCL1MAOBMAOAMRGPRX4
SCHEMBL3301459 0.83 MAOB (0.61) NR4A2MCL1MAOBMAOAMRGPRX4
SCHEMBL3302205 0.83 MRGPRX4 (0.60) NR4A2MCL1MAOBMAOAMRGPRX4
SCHEMBL3294960 0.82 XDH (0.67) NR4A2MCL1MAOBMAOAFFAR1
SCHEMBL3296881 0.82 NR4A2 (0.51) NR4A2MCL1MAOBMAOAMRGPRX4

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 2061/4885MCL1 2555/4885MAOB 2939/4885

“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.