SCHEMBL2345186

SCHEMBL2345186

Cc1cc(F)cc([Mg]Br)c1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.36
RAPGEF4 Q8WZA2 2/20 0.33
ALDH1A1 P00352 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA9 Q16790 1/20 0.31

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
SCHEMBL63955 0.82 ALDH1A1 (0.45) ACHEALDH1A1CA1CA9
SCHEMBL307607 0.82 CA12 (0.45) CA12CA1CA9
SCHEMBL3084976 0.73 ALDH1A1 (0.37) ALDH1A1
SCHEMBL12156 0.73
SCHEMBL91512 0.73
SCHEMBL2585940 0.71 RAPGEF4 (0.33) RAPGEF4ALDH1A1
SCHEMBL1923653 0.71 RAPGEF4 (0.32) RAPGEF4CA12CA1CA9
SCHEMBL19031190 0.71 RAPGEF4 (0.39) RAPGEF4
SCHEMBL19031224 0.70
SCHEMBL19031830 0.70 HDAC1 (0.35)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017158147-A1 PYRIMIDONE DERIVATIVES AND THEIR USE IN THE TREATMENT, AMELIORATION OR PREVENTION OF A VIRAL DISEASE SAVIRA PHARMACEUTICALS GMBH (AT) 2017-09-21 WO disclosed
EP-2358704-A1 7-azaspiro [3.5]nonane-7-carboxamide compounds as modulators of fatty acid amide hydrolase Pfizer Inc. (US) 2011-08-24 EP disclosed
US-7790895-B2 Quinoline derivatives as potassium ion channel openers JANSSEN PHARMACEUTICA NV (BE) 2010-09-07 US disclosed
US-20100113465-A1 7-AZASPIRO[3.5]NONANE-7-CARBOXAMIDE COMPOUNDS PFIZER INC. 2010-05-06 US disclosed
WO-2010049841-A1 7-AZASPIRO [3.5] NONANE-7-CARBOXAMIDE COMPOUNDS AS MODULATORS OF FATTY ACID AMIDE HYDROLASE PFIZER INC. (US) 2010-05-06 WO disclosed
US-7671065-B2 Pyridine derivatives as potassium ion channel openers JANSSEN PHARMACEUTICA N.V. (BE) 2010-03-02 US 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-20070054935-A1 Novel pyridine derivatives as potassium ion channel openers JANSSEN PHARMACEUTICA N.V. (BE) 2007-03-08 US disclosed
WO-2006091800-A2 NOVEL PYRIDINE DERIVATIVES AS POTASSIUM ION CHANNEL OPENERS JANSSEN PHARMACEUTICA N.V. (BE) 2006-08-31 WO disclosed
WO-2006091769-A1 NOVEL QUINOLINE 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 (3 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 ACHE 541/4885RAPGEF4 953/4885ALDH1A1 2460/4885
US-20070054935-A1 Novel pyridine derivatives as potassium ion channel openers KCNJ2, KCNQ2, KCNQ1 ACHE 663/4885RAPGEF4 785/4885ALDH1A1 2185/4885
US-20100113465-A1 7-AZASPIRO[3.5]NONANE-7-CARBOXAMIDE COMPOUNDS FAAH, FAAH2, APEH ACHE 124/4885RAPGEF4 1816/4885ALDH1A1 739/4885

“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.