SCHEMBL3303483

SCHEMBL3303483

Nc1cccc(-c2ccc(COc3ccc(C(=O)O)c(O)c3)cc2)c1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 2/20 0.58
MAOB P27338 5/20 0.52
HNF4A P41235 1/20 0.51
ACMSD Q8TDX5 1/20 0.51
SMPD1 P17405 1/20 0.47
MAOA P21397 3/20 0.47
NR4A2 P43354 1/20 0.47
MRGPRX4 Q96LA9 1/20 0.47
MAPT P10636 2/20 0.47
ALDH1A1 P00352 1/20 0.47
CYP3A4 P08684 1/20 0.47
GAA P10253 1/20 0.47
ESR2 Q92731 1/20 0.47
KDM4E B2RXH2 1/20 0.47
PTPN1 P18031 1/20 0.47
FFAR1 O14842 1/20 0.46
DHODH Q02127 1/20 0.46
APP P05067 1/20 0.46

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
SCHEMBL3296016 0.91 NR4A2 (0.54) MCL1MAOBMAOANR4A2MRGPRX4
SCHEMBL3297207 0.89 MCL1 (0.62) MCL1MAOBHNF4AACMSDSMPD1
SCHEMBL3297175 0.88 MCL1 (0.68) MCL1MAOBHNF4AACMSDSMPD1
SCHEMBL3294761 0.86 NR4A2 (0.61) MCL1MAOBHNF4AACMSDSMPD1
SCHEMBL3296180 0.84 MCL1 (0.57) MCL1MAOBMRGPRX4FFAR1DHODH
SCHEMBL3304188 0.83 MAOB (0.60) MCL1MAOBSMPD1MAOANR4A2
SCHEMBL3296263 0.83 NR4A2 (0.67) MCL1MAOBHNF4AACMSDMAOA
SCHEMBL22126660 0.82 MCL1 (0.80) MCL1MAOBHNF4AACMSDNR4A2
SCHEMBL3299304 0.82 MCL1 (0.59) MCL1MAOBHNF4AACMSDMAOA
SCHEMBL3296874 0.82 MCL1 (0.59) MCL1MAOBMAOANR4A2

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 MCL1 2555/4885MAOB 2939/4885HNF4A 949/4885

“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.