SCHEMBL3059565

SCHEMBL3059565

O=C(c1ccccc1)c1ccncc1C(O)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.51
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
KDM4C Q9H3R0 3/20 0.44
GAA P10253 3/20 0.44
KDM4D Q6B0I6 1/20 0.42
AKR1C3 P42330 1/20 0.40
EPHX2 P34913 2/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
ALDH1A1 P00352 3/20 0.39
APP P05067 1/20 0.39
HCAR3 P49019 1/20 0.39
HCAR2 Q8TDS4 1/20 0.39
CES2 O00748 1/20 0.39
LMNA P02545 1/20 0.39
CES1 P23141 1/20 0.39
CYP17A1 P05093 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.37

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
SCHEMBL3059253 0.87 CES2 (0.44) SMN1; SMN2MEN1KMT2AKDM4CGAA
SCHEMBL3064785 0.87 RAB9A (0.49) SMN1; SMN2MEN1KMT2AGAAALDH1A1
SCHEMBL13138821 0.84 SMN1; SMN2 (0.40) SMN1; SMN2MEN1KMT2AKDM4CGAA
SCHEMBL3068022 0.84 VNN1 (0.48) SMN1; SMN2
SCHEMBL3054472 0.83 MEN1 (0.49) MEN1KMT2AKDM4CGAAKDM4D
SCHEMBL27543079 0.80 AKR1C3 (0.52) SMN1; SMN2MEN1KMT2AGAAAKR1C3
SCHEMBL1070529 0.79 HTT (0.50) SMN1; SMN2MEN1KMT2AKDM4CCYP2C9
SCHEMBL3059687 0.79 CYP11B1 (0.48) SMN1; SMN2MEN1KMT2ACYP2C19LMNA
SCHEMBL3059130 0.75 HTT (0.47) SMN1; SMN2KMT2AKDM4CGAACYP2C19
SCHEMBL7850570 0.74 AKR1C3 (0.62) MEN1KMT2AKDM4CGAAKDM4D

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101128431-B Novel quinoline derivatives as potassium ion channel openers JANSSEN PHARMACEUTICA NV 2011-05-25 CN disclosed
US-7790895-B2 Quinoline derivatives as potassium ion channel openers JANSSEN PHARMACEUTICA NV (BE) 2010-09-07 US disclosed
US-7790895-B2 Quinoline derivatives as potassium ion channel openers JANSSEN PHARMACEUTICA NV (BE) 2010-09-07 US disclosed
US-7790895-B2 Quinoline derivatives as potassium ion channel openers JANSSEN PHARMACEUTICA NV (BE) 2010-09-07 US disclosed
US-7671065-B2 Pyridine derivatives as potassium ion channel openers JANSSEN PHARMACEUTICA N.V. (BE) 2010-03-02 US disclosed
US-7671065-B2 Pyridine derivatives as potassium ion channel openers JANSSEN PHARMACEUTICA N.V. (BE) 2010-03-02 US disclosed
US-7671065-B2 Pyridine derivatives as potassium ion channel openers JANSSEN PHARMACEUTICA N.V. (BE) 2010-03-02 US disclosed
CN-101128428-A Pyridine derivatives as potassium channel openers JANSSEN PHARMACEUTICA NV (BE) 2008-02-20 CN disclosed
CN-101128431-A Novel quinoline derivatives as potassium ion channel openers JANSSEN PHARMACEUTICA NV (BE) 2008-02-20 CN disclosed
EP-1858853-A2 NOVEL PYRIDINE DERIVATIVES AS POTASSIUM ION CHANNEL OPENERS JANSSEN PHARMACEUTICA N.V. (BE) 2007-11-28 EP disclosed
EP-1853564-A1 NOVEL QUINOLINE DERIVATIVES AS POTASSIUM ION CHANNEL OPENERS Janssen Pharmaceutica N.V. (BE) 2007-11-14 EP disclosed
US-20070054936-A1 Novel quinoline derivatives as potassium ion channel openers JANSSEN PHARMACEUTICA N.V. (BE) 2007-03-08 US disclosed
US-20070054936-A1 Novel quinoline derivatives as potassium ion channel openers JANSSEN PHARMACEUTICA N.V. (BE) 2007-03-08 US disclosed
US-20070054936-A1 Novel quinoline derivatives as potassium ion channel openers JANSSEN PHARMACEUTICA N.V. (BE) 2007-03-08 US disclosed
US-20070054935-A1 Novel pyridine derivatives as potassium ion channel openers JANSSEN PHARMACEUTICA N.V. (BE) 2007-03-08 US disclosed
US-20070054935-A1 Novel pyridine derivatives as potassium ion channel openers JANSSEN PHARMACEUTICA N.V. (BE) 2007-03-08 US disclosed
US-20070054935-A1 Novel pyridine derivatives as potassium ion channel openers JANSSEN PHARMACEUTICA N.V. (BE) 2007-03-08 US disclosed
WO-2006091769-A1 NOVEL QUINOLINE DERIVATIVES AS POTASSIUM ION CHANNEL OPENERS JANSSEN PHARMACEUTICA N.V. (BE) 2006-08-31 WO disclosed
WO-2006091800-A2 NOVEL PYRIDINE DERIVATIVES AS POTASSIUM ION CHANNEL OPENERS JANSSEN PHARMACEUTICA N.V. (BE) 2006-08-31 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-20070054936-A1 Novel quinoline derivatives as potassium ion channel openers KCNQ1, KCNQ2, KCNJ2 SMN1; SMN2 1987/4885MEN1 2941/4885KMT2A 661/4885
US-20070054935-A1 Novel pyridine derivatives as potassium ion channel openers KCNJ2, KCNQ2, KCNQ1 SMN1; SMN2 963/4885MEN1 3681/4885KMT2A 1233/4885

“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.