SCHEMBL1744141

SCHEMBL1744141

FC(F)(F)c1ccc(-c2ccc(Cl)nc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 6/20 0.52
PIK3CD O00329 1/20 0.52
KCNQ3 O43525 2/20 0.51
KCNQ2 O43526 2/20 0.51
KCNQ1 P51787 2/20 0.51
KCNE1 P15382 1/20 0.51
DYRK1A Q13627 1/20 0.51
DYRK2 Q92630 1/20 0.51
CYP2A6 P11509 1/20 0.48
GRM4 Q14833 1/20 0.48
CA12 O43570 1/20 0.42
CA9 Q16790 1/20 0.42
S1PR1 P21453 1/20 0.41
S1PR3 Q99500 1/20 0.41
NOTUM Q6P988 1/20 0.41
KDM1A O60341 1/20 0.41
MAOB P27338 1/20 0.41
TRPA1 O75762 1/20 0.40
SCN5A Q14524 1/20 0.40
MAP4K4 O95819 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
SCHEMBL41029 0.83 KCNQ3 (0.53) PIK3CDKCNQ3KCNQ2KCNQ1KCNE1
SCHEMBL29364836 0.83 KCNQ3 (0.53) PIK3CDKCNQ3KCNQ2KCNQ1KCNE1
SCHEMBL1740256 0.82 KIF11 (0.54) KIF11DYRK1ADYRK2CA12CA9
SCHEMBL11158643 0.80 CCNA2 (0.55) PIK3CDKCNQ3KCNQ2KCNQ1KCNE1
SCHEMBL11168653 0.80 PIK3CD (0.52) KIF11PIK3CDCYP2A6CA12CA9
SCHEMBL1662273 0.80 PIK3CD (0.73) PIK3CDCYP2A6NOTUM
SCHEMBL18078706 0.78 KDM1A (0.57) KIF11CA12CA9KDM1AMAOB
Formaldehyde SCHEMBL28046297 0.78 KCNQ3 (0.53) KCNQ3KCNQ2KCNQ1KCNE1DYRK1A
Methylene Chloride SCHEMBL28144830 0.78 GRM4 (0.49) KCNQ3KCNQ2KCNQ1KCNE1DYRK1A
SCHEMBL11680992 0.77 KDM1A (0.49) KIF11KCNQ3KCNQ2KCNQ1KCNE1

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 14 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
US-20090264435-A1 Novel Aryl- and Heteroarylpiperazines HIGH POINT PHARMACEUTICALS, LLC (US) 2009-10-22 US disclosed
EP-1957073-A2 MEDICINAL DRUG OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-08-20 EP disclosed
EP-1902028-A2 HISTAMINE H3 RECEPTOR ANTAGONISTS Novo Nordisk A/S (DK) 2008-03-26 EP disclosed
WO-2007066784-A2 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-06-14 WO disclosed
WO-2007003604-A2 HISTS1MINE H3 RECEPTOR ANTAGONISTS NOVO NORDISK A/S (DK) 2007-01-11 WO disclosed
EP-1474401-A2 NOVEL ARYL- AND HETEROARYLPIPERAZINES NOVO NORDISK A/S (DK) 2004-11-10 EP disclosed
US-20030236259-A1 Novel aryl- and heteroarylpiperazines HIGH POINT PHARMACEUTICALS, LLC 2003-12-25 US disclosed
WO-2003066604-A2 NOVEL ARYL- AND HETEROARYLPIPERAZINES NOVO NORDISK A/S (DK) 2003-08-14 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 (4 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 KIF11 4100/4885PIK3CD 3134/4885KCNQ3 2345/4885
US-20030236259-A1 Novel aryl- and heteroarylpiperazines HRH3, HRH2, HRH4 KIF11 3920/4885PIK3CD 1742/4885KCNQ3 1773/4885
US-20090312309-A1 Novel Medicaments HRH3, HRH4, HRH1 KIF11 4100/4885PIK3CD 3134/4885KCNQ3 2345/4885
US-20090264435-A1 Novel Aryl- and Heteroarylpiperazines HRH3, HRH2, HRH4 KIF11 3920/4885PIK3CD 1742/4885KCNQ3 1773/4885

“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.