SCHEMBL1200997

SCHEMBL1200997

COc1cc(C(=O)NCc2ccc(S(C)(=O)=O)cc2)c2[nH]c(NC(=O)c3cc4ccccc4cn3)nc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 1/20 0.43
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
HPGDS O60760 1/20 0.41
CNR2 P34972 3/20 0.41
CYP2C9 P11712 1/20 0.40
NAMPT P43490 1/20 0.40
MAPK8 P45983 6/20 0.40
MAPK9 P45984 6/20 0.40
MAPK10 P53779 4/20 0.40
PRKD3 O94806 1/20 0.40
MAPK1 P28482 1/20 0.40
PRKD2 Q9BZL6 1/20 0.40
TACR3 P29371 1/20 0.40
EGFR P00533 1/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 2/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 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
SCHEMBL1201849 0.89 HDAC3 (0.42) MMP13HDAC3HDAC1HDAC2CYP2C9
SCHEMBL9611638 0.88 HDAC3 (0.41) HDAC3HDAC1HDAC2HPGDSCNR2
SCHEMBL1201985 0.88 KCNQ3 (0.43) HDAC3HDAC1HDAC2CYP2C9NAMPT
SCHEMBL1201673 0.85 HDAC3 (0.41) HDAC3HDAC1HDAC2CYP2C9NAMPT
SCHEMBL1202608 0.85 HDAC3 (0.41) MMP13HDAC3HDAC1HDAC2CYP2C9
SCHEMBL1202275 0.83 MAPT (0.45) HDAC3HDAC1HDAC2CNR2CYP2C9
SCHEMBL1201847 0.81 HPGD (0.50) MMP13TP53MAPTMEN1LMNA
SCHEMBL1201424 0.81 MAPK8 (0.43) HDAC3HDAC1HDAC2CYP2C9NAMPT
SCHEMBL1201420 0.80 NAMPT (0.44) HDAC3HDAC1HDAC2CYP2C9NAMPT
SCHEMBL1200874 0.80 KMT2A (0.49) 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 9 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-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-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 MMP13 403/4885HDAC3 892/4885HDAC1 726/4885
US-20110065713-A1 Benzazole Derivatives, Compositions, and Methods of Use as B-Secretase Inhibitors BACE1, BACE2, APP MMP13 507/4885HDAC3 1195/4885HDAC1 1043/4885
US-20140066477-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors BACE1, BACE2, APP MMP13 403/4885HDAC3 892/4885HDAC1 726/4885

“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.