SCHEMBL1742572

SCHEMBL1742572

Cc1cc(-c2ccc(C(=O)N(C)C)cc2)nnc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 2/20 0.46
CYP1A2 P05177 5/20 0.42
CLK4 Q9HAZ1 5/20 0.42
CYP2C9 P11712 2/20 0.42
CASP1 P29466 4/20 0.42
LRRK2 Q5S007 1/20 0.41
HSD17B10 Q99714 4/20 0.41
CYP3A4 P08684 3/20 0.41
CYP2D6 P10635 2/20 0.41
ALOX15 P16050 2/20 0.41
ERN1 O75460 1/20 0.40
ALDH1A1 P00352 4/20 0.40
HPGD P15428 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ATR Q13535 2/20 0.40
KDM4E B2RXH2 1/20 0.40
TSHR P16473 1/20 0.40
CYP2C19 P33261 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
RARG P13631 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
SCHEMBL13177720 0.86 PDK1 (0.45) PDK1CASP1ALDH1A1HPGDSMN1; SMN2
SCHEMBL1742551 0.86 ERN1 (0.45) PDK1CASP1CYP3A4ERN1SMN1; SMN2
SCHEMBL4177381 0.83 RXRA (0.46) PDK1CASP1ALOX15ALDH1A1SMN1; SMN2
SCHEMBL1752834 0.76 PDK1 (0.49) PDK1CASP1HSD17B10ALDH1A1HPGD
SCHEMBL2412398 0.76 CASP1 (0.53) PDK1CASP1HSD17B10ALDH1A1HPGD
SCHEMBL1743284 0.73 KDM4E (0.55) HSD17B10ALDH1A1HPGDSMN1; SMN2KDM4E
SCHEMBL1743228 0.73 PDK1 (0.46) PDK1CYP1A2CLK4CYP2C9LRRK2
SCHEMBL19554487 0.73 NPC1 (0.41) PDK1CASP1HSD17B10ALDH1A1HPGD
SCHEMBL29779696 0.73 NPC1 (0.41) PDK1CASP1HSD17B10ALDH1A1HPGD
SCHEMBL30962961 0.72 CASP1 (0.53) PDK1CASP1ALDH1A1HPGDSMN1; SMN2

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 18 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-8846677-B2 Medicaments HIGH POINT PHARMACEUTICALS, LLC (US) 2014-09-30 US disclosed
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-8501739-B2 Medicaments HIGH POINT PHARMACEUTICALS, LLC (US) 2013-08-06 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
US-20120232078-A1 Novel Medicaments HIGH POINT PHARMACEUTICALS, LLC (US) 2012-09-13 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-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-20090312309-A1 Novel Medicaments HIGH POINT PHARMACEUTICALS, LLC (US) 2009-12-17 US disclosed
US-20090312309-A1 Novel Medicaments HIGH POINT PHARMACEUTICALS, LLC (US) 2009-12-17 US 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
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 PDK1 1421/4885CYP1A2 4518/4885CLK4 3110/4885
US-20090312309-A1 Novel Medicaments HRH3, HRH4, HRH1 PDK1 1421/4885CYP1A2 4518/4885CLK4 3110/4885

“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.