SCHEMBL1201804

SCHEMBL1201804

O=C(CCc1ccccc1)Nc1cc(C(=O)Nc2ncc[nH]2)c2[nH]c(NC(=O)c3cc4ccccc4cn3)nc2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
MMP2 P08253 6/20 0.39
MMP9 P14780 6/20 0.39
MMP8 P22894 6/20 0.39
MMP13 P45452 4/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
EGLN1 Q9GZT9 1/20 0.38
PLAU P00749 1/20 0.38
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
GAA P10253 3/20 0.37
MMP3 P08254 1/20 0.37
MAPT P10636 4/20 0.36
HTT P42858 2/20 0.36
CCKBR P32239 1/20 0.35

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
SCHEMBL1201754 0.92 ALDH1A1 (0.42) HDAC1HDAC2NPC1RAB9AEGLN1
SCHEMBL4242364 0.84 PLAU (0.46) HDAC1HDAC2MMP2MMP9MMP8
SCHEMBL1201025 0.83 HPGDS (0.40) HDAC1HDAC2NPC1RAB9AEGLN1
SCHEMBL1202439 0.83 HPGDS (0.38) NPC1RAB9AEGLN1LMNASMN1; SMN2
SCHEMBL1201712 0.83 GPR27 (0.38) MMP2MMP9MMP8MMP13LMNA
SCHEMBL4242362 0.82 PLAU (0.43) MMP2MMP9MMP8MMP13NPC1
SCHEMBL1201182 0.82 NPC1 (0.41) NPC1RAB9ALMNASMN1; SMN2GAA
SCHEMBL1202178 0.81 NPC1 (0.42) NPC1RAB9ALMNASMN1; SMN2GAA
SCHEMBL1201671 0.81 HPGDS (0.42) HDAC1HDAC2NPC1RAB9ALMNA
SCHEMBL1202096 0.81 POLB (0.38) NPC1RAB9AEGLN1LMNASMN1; SMN2

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 10 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
EP-2457901-A1 Benzazole derivatives, compositions, and methods of use as B-secretase inhibitors High Point Pharmaceuticals, LLC (US) 2012-05-30 EP 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 HDAC1 726/4885HDAC2 713/4885MMP2 356/4885
US-20110065713-A1 Benzazole Derivatives, Compositions, and Methods of Use as B-Secretase Inhibitors BACE1, BACE2, APP HDAC1 1043/4885HDAC2 843/4885MMP2 416/4885
US-20140066477-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors BACE1, BACE2, APP HDAC1 726/4885HDAC2 713/4885MMP2 356/4885

“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.