SCHEMBL1170111

SCHEMBL1170111

CCCCCNc1ccc(F)cc1[N+](=O)[O-]

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 3/20 0.66
MAPT P10636 7/20 0.60
POLB P06746 2/20 0.60
PKM P14618 2/20 0.60
KAT2B Q92831 3/20 0.53
LMNA P02545 1/20 0.53
MAPK1 P28482 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
PRSS1 P07477 4/20 0.51
BCHE P06276 1/20 0.50
ACHE P22303 1/20 0.50
HTT P42858 1/20 0.50
KDM4E B2RXH2 1/20 0.48
NPC1 O15118 1/20 0.48
ALDH1A1 P00352 1/20 0.48
CRHBP P24387 1/20 0.48
RAB9A P51151 1/20 0.48
CRHR2 Q13324 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
SCHEMBL4086159 0.90 HCAR3 (0.63) HCAR3MAPTPOLBPKMKAT2B
SCHEMBL1420938 0.85 HCAR3 (0.58) HCAR3MAPTPOLBPKMKAT2B
SCHEMBL8336041 0.84 ALDH1A1 (0.56) HCAR3MAPTPOLBPKMKAT2B
SCHEMBL14906561 0.84 KAT2B (0.74) HCAR3MAPTPOLBPKMKAT2B
SCHEMBL1283854 0.84 MAPT (0.54) HCAR3MAPTPOLBPKMKAT2B
SCHEMBL29306545 0.84 HCAR3 (0.67) HCAR3MAPTPOLBPKMKAT2B
SCHEMBL4090213 0.83 HCAR3 (0.61) HCAR3MAPTPOLBPKMKAT2B
SCHEMBL10428098 0.83 HCAR3 (0.66) HCAR3MAPTPOLBPKMKAT2B
SCHEMBL20968369 0.83 HCAR3 (0.66) HCAR3MAPTPOLBPKMKAT2B
SCHEMBL19972855 0.83 HCAR3 (0.66) HCAR3MAPTPOLBPKMKAT2B

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 8 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-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-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
EP-1838306-A1 NOVEL 2-AMINO BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS MODULATORS OF SMALL-CONDUCTANCE CALCIUM-ACTIVATED POTASSIUM CHANNELS NEUROSEARCH A/S (DK) 2007-10-03 EP disclosed
WO-2006074991-A1 NOVEL 2-AMINO BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS MODULATORS OF SMALL-CONDUCTANCE CALCIUM-ACTIVATED POTASSIUM CHANNELS NEUROSEARCH A/S (DK) 2006-07-20 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 (3 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-20110034527-A1 NOVEL 2-AMINO BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS MODULATORS OF SMALL-CONDUCTANCE CALCIUM-ACTIVATED POTASSIUM CHANNELS KCNN2, KCNN1, KCNN3 HCAR3 974/4885MAPT 1733/4885POLB 4729/4885
US-20080200529-A1 Novel 2-Amino Benzimidazole Derivatives and Their Use As Modulators Of Small-Conductance Calcium-Activated Potassium Channels KCNN2, KCNN1, KCNN3 HCAR3 974/4885MAPT 1733/4885POLB 4729/4885
US-20100280087-A1 NOVEL 2-AMINO BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS MODULATORS OF SMALL-CONDUCTANCE CALCIUM-ACTIVATED POTASSIUM CHANNELS KCNN2, KCNN1, KCNN3 HCAR3 974/4885MAPT 1733/4885POLB 4729/4885

“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.