SCHEMBL1201673

SCHEMBL1201673

COc1ccc(C(=O)NCc2ccc(S(C)(=O)=O)cc2)c2[nH]c(NC(=O)c3cc4ccccc4cn3)nc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
CYP2C9 P11712 1/20 0.40
NAMPT P43490 1/20 0.40
MAPK8 P45983 9/20 0.40
MAPK9 P45984 9/20 0.40
MAPK10 P53779 8/20 0.40
PRKD3 O94806 2/20 0.40
MAPK1 P28482 2/20 0.40
PRKD2 Q9BZL6 2/20 0.40
EGLN1 Q9GZT9 1/20 0.39
ABCB1 P08183 1/20 0.39
ABCG2 Q9UNQ0 1/20 0.39
EGLN3 Q9H6Z9 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
DYRK3 O43781 1/20 0.38
JUN P05412 1/20 0.38
CSF1R P07333 1/20 0.38

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
SCHEMBL9611664 0.88 HDAC3 (0.41) HDAC3HDAC1HDAC2MAPK1EGLN1
SCHEMBL1202608 0.86 HDAC3 (0.41) HDAC3HDAC1HDAC2CYP2C9NAMPT
SCHEMBL1200997 0.85 MMP13 (0.43) HDAC3HDAC1HDAC2CYP2C9NAMPT
SCHEMBL1201424 0.85 MAPK8 (0.43) HDAC3HDAC1HDAC2CYP2C9NAMPT
SCHEMBL1201420 0.83 NAMPT (0.44) HDAC3HDAC1HDAC2CYP2C9NAMPT
SCHEMBL1201846 0.81 MAOB (0.43) ABCB1ABCG2MEN1KMT2APDE4B
SCHEMBL1201985 0.81 KCNQ3 (0.43) HDAC3HDAC1HDAC2CYP2C9NAMPT
SCHEMBL1201849 0.80 HDAC3 (0.42) HDAC3HDAC1HDAC2CYP2C9NAMPT
SCHEMBL1201728 0.80 NAMPT (0.42) HDAC3HDAC1HDAC2CYP2C9NAMPT
SCHEMBL1201708 0.80 HDAC3 (0.45) HDAC3HDAC1HDAC2CYP2C9NAMPT

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
US-8946259-B2 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors HIGH POINT PHARMACEUTICALS, LLC (US) 2015-02-03 US disclosed
US-8946259-B2 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors HIGH POINT PHARMACEUTICALS, LLC (US) 2015-02-03 US disclosed
US-20140066477-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors HIGH POINT PHARMACEUTICALS, LLC (US) 2014-03-06 US disclosed
US-20140066477-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors HIGH POINT PHARMACEUTICALS, LLC (US) 2014-03-06 US disclosed
US-20110065713-A1 Benzazole Derivatives, Compositions, and Methods of Use as B-Secretase Inhibitors HIGH POINT PHARMACEUTICALS, LLC (US) 2011-03-17 US disclosed
US-20110065713-A1 Benzazole Derivatives, Compositions, and Methods of Use as B-Secretase Inhibitors HIGH POINT PHARMACEUTICALS, LLC (US) 2011-03-17 US disclosed
US-20110065713-A1 Benzazole Derivatives, Compositions, and Methods of Use as B-Secretase Inhibitors HIGH POINT PHARMACEUTICALS, LLC (US) 2011-03-17 US disclosed
US-7893267-B2 Benzazole derivatives, compositions, and methods of use as β-secretase inhibitors HIGH POINT PHARMACEUTICALS, LLC (US) 2011-02-22 US disclosed
US-7893267-B2 Benzazole derivatives, compositions, and methods of use as β-secretase inhibitors HIGH POINT PHARMACEUTICALS, LLC (US) 2011-02-22 US disclosed
US-7893267-B2 Benzazole derivatives, compositions, and methods of use as β-secretase inhibitors HIGH POINT PHARMACEUTICALS, LLC (US) 2011-02-22 US disclosed
US-20090326006-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors VTVX HOLDINGS II LLC 2009-12-31 US disclosed
US-20090326006-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors VTVX HOLDINGS II LLC 2009-12-31 US 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-20090326006-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors BACE1, BACE2, APP HDAC3 892/4885HDAC1 726/4885HDAC2 713/4885
US-20110065713-A1 Benzazole Derivatives, Compositions, and Methods of Use as B-Secretase Inhibitors BACE1, BACE2, APP HDAC3 1195/4885HDAC1 1043/4885HDAC2 843/4885
US-20140066477-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors BACE1, BACE2, APP HDAC3 892/4885HDAC1 726/4885HDAC2 713/4885

“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.