SCHEMBL3071918

SCHEMBL3071918

COc1ccc(C=O)cc1-c1ccncc1C(O[SiH](C)C)C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.41
ALDH1A1 P00352 9/20 0.38
KDM4E B2RXH2 1/20 0.38
TSHR P16473 1/20 0.38
AOX1 Q06278 1/20 0.36
FDPS P14324 1/20 0.34
HPGD P15428 2/20 0.33
TRIM24 O15164 1/20 0.33
ALDH5A1 P51649 1/20 0.33
ABAT P80404 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
TRIM33 Q9UPN9 1/20 0.33
POLB P06746 1/20 0.33
TTR P02766 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32

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
SCHEMBL3064048 0.74 MAPT (0.51) MAPTALDH1A1KDM4ETSHRAOX1
SCHEMBL5036986 0.71 ALDH1A1 (0.47) MAPTALDH1A1KDM4ETSHRAOX1
SCHEMBL6156378 0.71 ALDH1A1 (0.34) ALDH1A1TSHRAOX1FDPS
SCHEMBL3064823 0.70 ALDH1A1 (0.47) MAPTALDH1A1KDM4ETSHRAOX1
SCHEMBL4339133 0.69 ALDH1A1 (0.33) ALDH1A1TSHRAOX1HPGDTRIM24
SCHEMBL27756356 0.69 ALDH1A1 (0.42) MAPTALDH1A1TSHRAOX1HPGD
SCHEMBL3071921 0.69 MAPT (0.41) MAPTALDH1A1KDM4ETSHRAOX1
SCHEMBL3924648 0.68 ERN1 (0.56) MAPTALDH1A1KDM4ETSHRAOX1
SCHEMBL3933850 0.67 ERN1 (0.56) MAPTALDH1A1KDM4ETSHRAOX1
SCHEMBL8682181 0.65 KDM4E (0.36) ALDH1A1KDM4EPOLBNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 (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 MAPT 946/4885ALDH1A1 2460/4885KDM4E 1158/4885
US-20070054935-A1 Novel pyridine derivatives as potassium ion channel openers KCNJ2, KCNQ2, KCNQ1 MAPT 831/4885ALDH1A1 2185/4885KDM4E 953/4885

“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.