SCHEMBL3301543

SCHEMBL3301543

O=C(O)c1ccc(Nc2ccccc2[N+](=O)[O-])cc1O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.61
MEN1 O00255 4/20 0.61
MAPK1 P28482 2/20 0.61
TDP1 Q9NUW8 2/20 0.61
PKM P14618 2/20 0.61
GAA P10253 2/20 0.61
MAPT P10636 2/20 0.61
ALDH1A1 P00352 2/20 0.59
CASP7 P55210 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
MAPK13 O15264 1/20 0.56
MAPK12 P53778 1/20 0.56
MAPK11 Q15759 1/20 0.56
MAPK14 Q16539 1/20 0.56
AKR1C3 P42330 5/20 0.55
AKR1C2 P52895 5/20 0.55
CTSV O60911 3/20 0.53
CTSL P07711 3/20 0.53
HCAR3 P49019 1/20 0.52
KDM4E B2RXH2 2/20 0.52

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
SCHEMBL8521365 0.88 MEN1 (0.57) KMT2AMEN1MAPK1TDP1PKM
SCHEMBL13874222 0.85 ALDH1A1 (0.57) KMT2AMEN1MAPK1TDP1PKM
SCHEMBL16634678 0.85 MAPK13 (0.71) KMT2AMEN1MAPK1TDP1PKM
SCHEMBL16634680 0.85 MAPK13 (0.71) KMT2AMEN1MAPK1TDP1PKM
SCHEMBL28551405 0.84 MEN1 (0.64) KMT2AMEN1MAPK1TDP1MAPT
SCHEMBL13891037 0.82 ALDH1A1 (0.57) KMT2AMEN1MAPK1TDP1PKM
SCHEMBL14428198 0.81 POLB (0.55) KMT2AMEN1MAPK1TDP1PKM
SCHEMBL16634582 0.79 TDP1 (0.73) KMT2AMEN1MAPK1TDP1PKM
SCHEMBL16634580 0.79 TDP1 (0.73) KMT2AMEN1MAPK1TDP1PKM
SCHEMBL453183 0.78 AKR1C3 (0.68) KMT2AMEN1MAPK1TDP1PKM

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 KMT2A 630/4885MEN1 1783/4885MAPK1 2370/4885

“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.