SCHEMBL1744144

SCHEMBL1744144

N#Cc1ccc(-c2ccc(Cl)nc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.52
CYP11B2 P19099 2/20 0.52
AR P10275 1/20 0.49
CYP2A6 P11509 1/20 0.48
EGLN1 Q9GZT9 1/20 0.48
MMP3 P08254 1/20 0.47
RIPK1 Q13546 1/20 0.46
NOTUM Q6P988 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
KIF11 P52732 2/20 0.42
PLAU P00749 1/20 0.42
NAAA Q02083 1/20 0.42
RHEB Q15382 1/20 0.41
KDM1A O60341 1/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
GABRA1 P14867 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
SCHEMBL75830 0.83
SCHEMBL30212370 0.83
SCHEMBL2012814 0.82 GRM5 (0.49) PIK3CDARCYP2A6EGLN1NPC1
SCHEMBL1742413 0.82 CYP11B2 (0.48) CYP11B2EGLN1MMP3RIPK1NOTUM
SCHEMBL20448766 0.80 PIK3CD (0.52) PIK3CDCYP2A6EGLN1NOTUMNPC1
SCHEMBL2012301 0.80 PIK3CD (0.52) PIK3CDCYP11B2ARCYP2A6NOTUM
SCHEMBL2011764 0.80 PIK3CD (0.52) PIK3CDCYP11B2ARCYP2A6NOTUM
SCHEMBL1662273 0.80 PIK3CD (0.73) PIK3CDCYP2A6NOTUMNPC1RAB9A
Methane SCHEMBL27716533 0.79 L3MBTL1 (0.43) PIK3CDARCYP2A6CA12CA2
SCHEMBL17629999 0.79 EGLN2 (0.44) PIK3CDCYP11B2ARCYP2A6RIPK1

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 10 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-2233470-B1 Histamine H3 receptor antagonists HIGH POINT PHARMACEUTICALS LLC (US) 2011-12-07 EP 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

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 PIK3CD 3134/4885CYP11B2 864/4885AR 4107/4885
US-20090312309-A1 Novel Medicaments HRH3, HRH4, HRH1 PIK3CD 3134/4885CYP11B2 864/4885AR 4107/4885

“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.