SCHEMBL3296397

SCHEMBL3296397

O=C(Nc1ccc(C(=O)O)c(O)c1)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.83
PKM P14618 1/20 0.83
SIRT6 Q8N6T7 1/20 0.64
DEGS1 O15121 1/20 0.63
HNF4A P41235 1/20 0.61
ACMSD Q8TDX5 1/20 0.61
GALK1 P51570 1/20 0.60
CASP6 P55212 1/20 0.60
MCL1 Q07820 1/20 0.60
PLEC Q15149 1/20 0.60
TDP1 Q9NUW8 1/20 0.60
PTPN1 P18031 3/20 0.59
MAPT P10636 3/20 0.59
KDM4E B2RXH2 2/20 0.59
MAPK1 P28482 1/20 0.59
DHODH Q02127 1/20 0.57
MEN1 O00255 3/20 0.57
ALOX15 P16050 1/20 0.56
PARP1 P09874 1/20 0.56
PSMD14 O00487 1/20 0.56

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
Benzoylpas SCHEMBL563122 0.91 KMT2A (1.00) KMT2APKMSIRT6TDP1PTPN1
SCHEMBL30772317 0.91 KMT2A (0.87) KMT2APKMSIRT6MAPTKDM4E
SCHEMBL27296254 0.91 KMT2A (0.87) KMT2APKMSIRT6MAPTKDM4E
Benzoylpas SCHEMBL29353120 0.89 KMT2A (0.97) KMT2APKMSIRT6TDP1PTPN1
Benzoylpas SCHEMBL8748163 0.89 KMT2A (0.97) KMT2APKMSIRT6TDP1PTPN1
Benzoylpas SCHEMBL9770542 0.89 KMT2A (0.97) KMT2APKMSIRT6TDP1PTPN1
SCHEMBL10758235 0.88 SIRT6 (0.64) KMT2APKMSIRT6DEGS1HNF4A
SCHEMBL27379558 0.84 KMT2A (0.75) KMT2APKMSIRT6MAPTKDM4E
SCHEMBL7609498 0.84 KMT2A (0.75) KMT2APKMSIRT6TDP1MAPT
SCHEMBL13805528 0.83 SIRT6 (0.65) KMT2APKMSIRT6DEGS1HNF4A

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 7 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
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 KMT2A 630/4885PKM 341/4885SIRT6 1039/4885

“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.