SCHEMBL1744099

SCHEMBL1744099

Fc1ccccc1-c1ccc(Cl)nc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.47
HIF1A Q16665 1/20 0.47
NPC1 O15118 3/20 0.46
RAB9A P51151 2/20 0.46
PIK3CD O00329 1/20 0.46
FEN1 P39748 3/20 0.45
ALOX5AP P20292 2/20 0.45
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 1/20 0.42
TRPA1 O75762 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
MAPT P10636 1/20 0.41
NFE2L2 Q16236 1/20 0.41
PTPRC P08575 1/20 0.41
PTPN1 P18031 1/20 0.41
MAP4K4 O95819 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ACMSD Q8TDX5 1/20 0.40
APEX1 P27695 1/20 0.40

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
SCHEMBL10896655 0.80 USP7 (0.53) CYP2A6NPC1RAB9APIK3CDFEN1
SCHEMBL30776664 0.80 FEN1 (0.47) HIF1ANPC1FEN1ALOX5APTRPA1
SCHEMBL17436090 0.80 FEN1 (0.47) HIF1ANPC1FEN1ALOX5APTRPA1
SCHEMBL27586879 0.78 ALDH1A1 (0.50) CYP2A6NPC1RAB9APIK3CDFEN1
SCHEMBL1744858 0.78 CYP2A6 (0.48) CYP2A6NPC1RAB9APIK3CDFEN1
SCHEMBL31156183 0.77 MEN1 (0.47) CYP2A6NPC1RAB9APIK3CDFEN1
SCHEMBL4933140 0.77 MEN1 (0.47) CYP2A6NPC1RAB9APIK3CDFEN1
SCHEMBL8446334 0.77 PTGS2 (0.50) HIF1ANPC1RAB9AFEN1ALOX5AP
SCHEMBL4017379 0.77 FEN1 (0.67) FEN1ALOX5APMAP4K4
SCHEMBL11158898 0.77 AKR1C3 (0.49) CYP2A6NPC1RAB9APIK3CDFEN1

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
US-8846677-B2 Medicaments HIGH POINT PHARMACEUTICALS, LLC (US) 2014-09-30 US disclosed
US-8501739-B2 Medicaments HIGH POINT PHARMACEUTICALS, LLC (US) 2013-08-06 US disclosed
US-20120232078-A1 Novel Medicaments HIGH POINT PHARMACEUTICALS, LLC (US) 2012-09-13 US disclosed
EP-2386554-A1 Compounds active at the histamine H3 receptor High Point Pharmaceuticals, LLC (US) 2011-11-16 EP disclosed
EP-2233470-A1 Histamine H3 receptor antagonists High Point Pharmaceuticals, LLC (US) 2010-09-29 EP disclosed
US-20090312309-A1 Novel Medicaments HIGH POINT PHARMACEUTICALS, LLC (US) 2009-12-17 US disclosed
CN-101218206-A Histamine H3 receptor antagonists NOVO NORDISK AS (DK) 2008-07-09 CN disclosed
EP-1902028-A2 HISTAMINE H3 RECEPTOR ANTAGONISTS Novo Nordisk A/S (DK) 2008-03-26 EP disclosed
WO-2007003604-A2 HISTS1MINE H3 RECEPTOR ANTAGONISTS NOVO NORDISK A/S (DK) 2007-01-11 WO disclosed
EP-0017438-B1 SUBSTITUTED 3-ALKYL-6-PHENYL-1,2,4-TRIAZOLO(4,3-A)PYRIDINES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AMERICAN CYANAMID COMPANY (US) 1983-03-02 EP disclosed
US-4242515-A Substituted 3-alkyl-6-phenyl-1,2,4-triazolo-[4,3-a]pyridines AMERICAN CYANAMID COMPANY (US) 1980-12-30 US disclosed
EP-0017438-A1 Substituted 3-alkyl-6-phenyl-1,2,4-triazolo(4,3-a)pyridines, processes for their preparation and pharmaceutical compositions containing them AMERICAN CYANAMID COMPANY (US) 1980-10-15 EP disclosed
US-4209626-A Substituted 6-phenyl-1,2,4-triazolo[4,3-a]pyridines AMERICAN CYANAMID COMPANY (US) 1980-06-24 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 (2 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-20120232078-A1 Novel Medicaments HRH3, HRH4, HRH1 CYP2A6 4039/4885HIF1A 1038/4885NPC1 2646/4885
US-20090312309-A1 Novel Medicaments HRH3, HRH4, HRH1 CYP2A6 4039/4885HIF1A 1038/4885NPC1 2646/4885

“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.