SCHEMBL3609055

SCHEMBL3609055

O=[N+]([O-])c1ccccc1Nc1ccc(F)c(F)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPAS1 Q99814 1/20 0.63
ALDH1A1 P00352 5/20 0.63
MAPK1 P28482 4/20 0.63
L3MBTL1 Q9Y468 3/20 0.63
TDP1 Q9NUW8 2/20 0.63
CASP7 P55210 1/20 0.63
MAPT P10636 6/20 0.60
MEN1 O00255 3/20 0.60
KMT2A Q03164 3/20 0.60
GAA P10253 2/20 0.60
PKM P14618 1/20 0.60
ALDH3A1 P30838 2/20 0.59
MAPK13 O15264 1/20 0.49
MAPK12 P53778 1/20 0.49
MAPK11 Q15759 1/20 0.49
MAPK14 Q16539 1/20 0.49
LRRK2 Q5S007 1/20 0.49
POLB P06746 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HTT P42858 2/20 0.47

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
SCHEMBL1668970 0.87 EPAS1 (0.59) EPAS1ALDH1A1MAPK1L3MBTL1TDP1
SCHEMBL21463344 0.83 EPAS1 (0.55) EPAS1ALDH1A1MAPK1L3MBTL1TDP1
SCHEMBL28492523 0.83 EPAS1 (0.55) EPAS1ALDH1A1MAPK1L3MBTL1TDP1
SCHEMBL30615629 0.83 EPAS1 (0.55) EPAS1ALDH1A1MAPK1L3MBTL1TDP1
SCHEMBL13874222 0.83 ALDH1A1 (0.57) EPAS1ALDH1A1MAPK1L3MBTL1TDP1
SCHEMBL11506844 0.83 ALDH1A1 (0.89) EPAS1ALDH1A1MAPK1L3MBTL1TDP1
SCHEMBL30379894 0.82 ALDH1A1 (0.74) EPAS1ALDH1A1MAPK1L3MBTL1TDP1
SCHEMBL1337891 0.82 ALDH1A1 (0.74) EPAS1ALDH1A1MAPK1L3MBTL1TDP1
SCHEMBL7167600 0.82 TDP1 (0.79) EPAS1ALDH1A1MAPK1L3MBTL1TDP1
SCHEMBL4942171 0.81 ALDH1A1 (0.68) EPAS1ALDH1A1MAPK1L3MBTL1TDP1

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2319512-A1 Novel 2-amino benzimidazole derivatives and their use as modulators of small-conductance calcium-activated potassium channels. NeuroSearch AS (DK) 2011-05-11 EP disclosed
US-20110034527-A1 NOVEL 2-AMINO BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS MODULATORS OF SMALL-CONDUCTANCE CALCIUM-ACTIVATED POTASSIUM CHANNELS SOERENSEN ULRIK SVANE 2011-02-10 US disclosed
US-20110034527-A1 NOVEL 2-AMINO BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS MODULATORS OF SMALL-CONDUCTANCE CALCIUM-ACTIVATED POTASSIUM CHANNELS SOERENSEN ULRIK SVANE 2011-02-10 US disclosed
US-7842817-B2 2-amino benzimidazole derivatives and their use as modulators of small-conductance calcium-activated potassium channels NEUROSEARCH A/S (DK) 2010-11-30 US disclosed
US-7842817-B2 2-amino benzimidazole derivatives and their use as modulators of small-conductance calcium-activated potassium channels NEUROSEARCH A/S (DK) 2010-11-30 US disclosed
EP-1838306-B1 NOVEL 2-AMINO BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS MODULATORS OF SMALL-CONDUCTANCE CALCIUM-ACTIVATED POTASSIUM CHANNELS NEUROSEARCH AS (DK) 2010-11-17 EP disclosed
US-20100280087-A1 NOVEL 2-AMINO BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS MODULATORS OF SMALL-CONDUCTANCE CALCIUM-ACTIVATED POTASSIUM CHANNELS SOERENSEN ULRIK SVANE 2010-11-04 US disclosed
US-20100280087-A1 NOVEL 2-AMINO BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS MODULATORS OF SMALL-CONDUCTANCE CALCIUM-ACTIVATED POTASSIUM CHANNELS SOERENSEN ULRIK SVANE 2010-11-04 US disclosed
US-20100029641-A1 ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2010-02-04 US disclosed
US-7601722-B2 Aryl sulfamide derivatives and methods of their use WYETH (US) 2009-10-13 US disclosed
US-20080200529-A1 Novel 2-Amino Benzimidazole Derivatives and Their Use As Modulators Of Small-Conductance Calcium-Activated Potassium Channels NEURO SEARCH A/S (DK) 2008-08-21 US disclosed
US-20080200529-A1 Novel 2-Amino Benzimidazole Derivatives and Their Use As Modulators Of Small-Conductance Calcium-Activated Potassium Channels NEURO SEARCH A/S (DK) 2008-08-21 US disclosed
US-20080167303-A1 ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2008-07-10 US 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 (5 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-20100029641-A1 ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE SLC6A4, SLC6A2, SLC6A3 EPAS1 1111/4885ALDH1A1 538/4885MAPK1 919/4885
US-20110034527-A1 NOVEL 2-AMINO BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS MODULATORS OF SMALL-CONDUCTANCE CALCIUM-ACTIVATED POTASSIUM CHANNELS KCNN2, KCNN1, KCNN3 EPAS1 2008/4885ALDH1A1 3979/4885MAPK1 2987/4885
US-20080200529-A1 Novel 2-Amino Benzimidazole Derivatives and Their Use As Modulators Of Small-Conductance Calcium-Activated Potassium Channels KCNN2, KCNN1, KCNN3 EPAS1 2008/4885ALDH1A1 3979/4885MAPK1 2987/4885
US-20080167303-A1 ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE SLC6A4, SLC6A2, SLC6A3 EPAS1 1111/4885ALDH1A1 538/4885MAPK1 919/4885
US-20100280087-A1 NOVEL 2-AMINO BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS MODULATORS OF SMALL-CONDUCTANCE CALCIUM-ACTIVATED POTASSIUM CHANNELS KCNN2, KCNN1, KCNN3 EPAS1 2008/4885ALDH1A1 3979/4885MAPK1 2987/4885

“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.