SCHEMBL474833

SCHEMBL474833

CCCCCc1c[nH]c(N)n1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.46
NOS2 P35228 1/20 0.41
PDPK1 O15530 2/20 0.40
BACE1 P56817 1/20 0.40
PI4KA P42356 1/20 0.37
PI4K2B Q8TCG2 1/20 0.37
PI4K2A Q9BTU6 1/20 0.37
PI4KB Q9UBF8 1/20 0.37
TLR8 Q9NR97 2/20 0.36
TLR7 Q9NYK1 1/20 0.36
ALDH1A1 P00352 2/20 0.34
PKM P14618 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL8521631 0.98 KCNH2 (0.48) KCNH2NOS2PDPK1BACE1PI4KA
SCHEMBL27681192 0.98 KCNH2 (0.48) KCNH2NOS2PDPK1BACE1PI4KA
SCHEMBL27661521 0.98 KCNH2 (0.48) KCNH2NOS2PDPK1BACE1PI4KA
SCHEMBL18794910 0.98 KCNH2 (0.48) KCNH2NOS2PDPK1BACE1PI4KA
Hydrochloric Acid SCHEMBL12821604 0.96 KCNH2 (0.47) KCNH2NOS2PDPK1BACE1PI4KA
SCHEMBL5924367 0.94 NOS2 (0.46) KCNH2NOS2PDPK1BACE1TLR8
SCHEMBL16579802 0.90 BACE1 (0.33) KCNH2NOS2PDPK1BACE1
SCHEMBL23812481 0.89 KCNH2 (0.41) KCNH2
SCHEMBL5924432 0.86
SCHEMBL12559910 0.82 HRH3 (0.40) PDPK1

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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3368517-B1 COMPOUNDS, COMPOSITIONS AND METHODS FOR CONTROLLING BIOFILMS UNIV LEUVEN KATH (BE) 2023-07-05 EP disclosed
US-11339140-B2 Compositions and methods comprising substituted 2-aminoimidazoles CURZA GLOBAL, LLC (US) 2022-05-24 US disclosed
EP-3119394-B1 COMPOSITIONS AND METHODS COMPRISING 2-(ACYLAMINO)IMIDAZOLES CURZA GLOBAL LLC (US) 2021-05-12 EP disclosed
US-10807960-B2 Compounds, compositions, and methods for controlling biofilms KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2020-10-20 US disclosed
EP-3601232-A1 COMPOSITIONS AND METHODS COMPRISING SUBSTITUTED 2-AMINOIMIDAZOLES Curza Global LLC (US) 2020-02-05 EP disclosed
US-10493061-B2 Compositions and methods comprising 2-(acylamino)imidazoles CURZA GLOBAL, LLC (US) 2019-12-03 US disclosed
US-20180305321-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR CONTROLLING BIOFILMS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2018-10-25 US disclosed
WO-2018184019-A1 COMPOSITIONS AND METHODS COMPRISING SUBSTITUTED 2-AMINOIMIDAZOLES CURZA GLOBAL, LLC (US) 2018-10-04 WO disclosed
EP-3368517-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR CONTROLLING BIOFILMS Katholieke Universiteit Leuven (BE) 2018-09-05 EP disclosed
WO-2017070755-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR CONTROLLING BIOFILMS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2017-05-04 WO disclosed
US-20090018150-A1 5-Ht2b Receptor Antagonists ASTERAND UK LIMITED (GB) 2009-01-15 US disclosed
WO-2008043533-A3 ACYL AMINOIMIDAZOLES AND ACYL AMINOTHIAZOLES BAYER HEALTHCARE AG (DE) 2008-07-03 WO disclosed
WO-2008043533-A2 ACYL AMINOIMIDAZOLES AND ACYL AMINOTHIAZOLES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-04-17 WO disclosed
EP-1648876-A1 5-HT SB 2B /SB RECEPTOR ANTAGONISTS Pharmagene Laboratories Ltd (GB) 2006-04-26 EP disclosed
WO-2005097113-A2 5-HT2B RECEPTOR ANTAGONISTS PHARMAGENE LABORATORIES LIMITED (GB) 2005-10-20 WO disclosed
CN-1674893-A Benzimidazole derivatives MERCK PATENT GMBH (DE) 2005-09-28 CN disclosed
WO-2005012263-A1 5-HT2B RECEPTOR ANTAGONISTS PHARMAGENE LABORATORIES LIMITED (GB) 2005-02-10 WO disclosed
US-6087361-A TREATING ELEVATED INTRAOCULAR PRESSURE, NASAL CONGESTION AND DIARRHEA IN A MAMMAL; NO SIDE EFFECT OF BLOOD PRESSURE ALLERGAN SALES, INC. (US) 2000-07-11 US disclosed
EP-0828491-A1 ARYL-IMIDAZOLINES AND ARYL-IMIDAZOLES USEFUL AS ALPHA-2 ADRENERGIC AGONISTS WITHOUT CARDIOVASCULAR SIDE EFFECTS Allergan (US) 1998-03-18 EP disclosed
WO-1996035424-A1 ARYL-IMIDAZOLINES AND ARYL-IMIDAZOLES USEFUL AS ALPHA-2 ADRENERGIC AGONISTS WITHOUT CARDIOVASCULAR SIDE EFFECTS ALLERGAN (US) 1996-11-14 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 (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-20090018150-A1 5-Ht2b Receptor Antagonists HTR2B, HTR1B, HTR3B KCNH2 567/4885NOS2 1786/4885PDPK1 3757/4885
US-10493061-B2 Compositions and methods comprising 2-(acylamino)imidazoles AADAC, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HDAC6 KCNH2 1072/4885NOS2 1007/4885PDPK1 2714/4885
US-20180305321-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR CONTROLLING BIOFILMS AADAC, TYR, HAAO KCNH2 3327/4885NOS2 889/4885PDPK1 3262/4885
US-11339140-B2 Compositions and methods comprising substituted 2-aminoimidazoles AADAC, PAICS, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 KCNH2 2008/4885NOS2 1930/4885PDPK1 1822/4885
US-10807960-B2 Compounds, compositions, and methods for controlling biofilms AADAC, TYR, HAAO KCNH2 3327/4885NOS2 889/4885PDPK1 3262/4885

“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.