SCHEMBL1201754

SCHEMBL1201754

O=C(Cc1ccccc1)Nc1cc(C(=O)Nc2ncc[nH]2)c2[nH]c(NC(=O)c3cc4ccccc4cn3)nc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
MAPK1 P28482 1/20 0.42
HSD17B10 Q99714 1/20 0.42
HDAC3 O15379 5/20 0.41
HDAC1 Q13547 5/20 0.41
HDAC8 Q9BY41 3/20 0.41
HDAC4 P56524 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41
ROCK2 O75116 2/20 0.38
KDM4E B2RXH2 2/20 0.38
NAMPT P43490 1/20 0.38
HDAC2 Q92769 2/20 0.38
NCOR2 Q9Y618 1/20 0.38
HDAC10 Q969S8 1/20 0.37
EGLN1 Q9GZT9 1/20 0.37
WNT3A P56704 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
WNT1 P04628 1/20 0.36

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
SCHEMBL1201804 0.92 HDAC1 (0.39) HDAC1KDM4EHDAC2EGLN1NPC1
SCHEMBL13572309 0.88 ALDH1A1 (0.39) ALDH1A1MAPK1HSD17B10ROCK2KDM4E
SCHEMBL1201025 0.85 HPGDS (0.40) HDAC3HDAC1HDAC8HDAC6HDAC2
SCHEMBL1202439 0.84 HPGDS (0.38) EGLN1MEN1KMT2ANPC1RAB9A
SCHEMBL1201712 0.84 GPR27 (0.38) ALDH1A1MAPK1HSD17B10KDM4E
SCHEMBL1201182 0.83 NPC1 (0.41) MEN1KMT2ANPC1RAB9A
SCHEMBL4247706 0.83 ALDH1A1 (0.43) ALDH1A1MAPK1HSD17B10HDAC3HDAC1
SCHEMBL1202178 0.82 NPC1 (0.42) MEN1KMT2ANPC1RAB9A
SCHEMBL1202096 0.82 POLB (0.38) KDM4ENAMPTEGLN1MEN1KMT2A
SCHEMBL1201671 0.82 HPGDS (0.42) MAPK1HDAC3HDAC1KDM4EHDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110065713-A1 Benzazole Derivatives, Compositions, and Methods of Use as B-Secretase Inhibitors HIGH POINT PHARMACEUTICALS, LLC (US) 2011-03-17 US claimed
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 ALDH1A1 1717/4885MAPK1 4132/4885HSD17B10 955/4885
US-20110065713-A1 Benzazole Derivatives, Compositions, and Methods of Use as B-Secretase Inhibitors BACE1, BACE2, APP ALDH1A1 2426/4885MAPK1 4295/4885HSD17B10 1119/4885
US-20140066477-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors BACE1, BACE2, APP ALDH1A1 1717/4885MAPK1 4132/4885HSD17B10 955/4885

“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.