SCHEMBL4236161

SCHEMBL4236161

COc1ccc2cc(C(=O)O)nc(C)c2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.52
HPGD P15428 6/20 0.52
ALDH1A1 P00352 5/20 0.52
HSD17B10 Q99714 4/20 0.52
POLB P06746 1/20 0.52
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
LMNA P02545 2/20 0.46
GAA P10253 3/20 0.45
CFTR P13569 2/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
TP53 P04637 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MAPT P10636 1/20 0.44
ALOX12 P18054 1/20 0.44
HIF1A Q16665 1/20 0.44
HTT P42858 1/20 0.44
GPR35 Q9HC97 1/20 0.44

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
SCHEMBL28674761 0.84 MCL1 (0.50) ALDH1A1HSD17B10POLBMEN1KMT2A
SCHEMBL31351885 0.84 MCL1 (0.50) ALDH1A1HSD17B10POLBMEN1KMT2A
SCHEMBL4241709 0.82 PIM1 (0.44) KDM4EL3MBTL1TP53
SCHEMBL3358496 0.80 HSD11B1 (0.44) KDM4EHPGDALDH1A1HSD17B10POLB
SCHEMBL13518921 0.78 KDM4E (0.56) KDM4EHPGDALDH1A1POLBMEN1
SCHEMBL11120399 0.76 MAPT (0.57) KDM4EHPGDALDH1A1HSD17B10POLB
SCHEMBL15129579 0.75 KDM4E (0.73) KDM4EHPGDALDH1A1HSD17B10POLB
SCHEMBL15019913 0.75 KDM4E (0.50) KDM4EHPGDALDH1A1HSD17B10POLB
SCHEMBL281969 0.75 KDM4E (0.56) KDM4EHPGDALDH1A1HSD17B10POLB
SCHEMBL7456021 0.75 KDM4E (0.58) KDM4EHPGDALDH1A1HSD17B10POLB

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 6 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-8598353-B2 Benzazole derivatives, compositions, and methods of use as β-secretase inhibitors HIGH POINT PHARMACEUTICALS, LLC (US) 2013-12-03 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-20090326006-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors VTVX HOLDINGS II LLC 2009-12-31 US disclosed
US-20060223849-A1 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors HIGH POINT PHARMACEUTICALS, LLC 2006-10-05 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 KDM4E 3510/4885HPGD 1702/4885ALDH1A1 1717/4885
US-20060223849-A1 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors BACE1, BACE2, APP KDM4E 3510/4885HPGD 1702/4885ALDH1A1 1717/4885
US-20140066477-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors BACE1, BACE2, APP KDM4E 3510/4885HPGD 1702/4885ALDH1A1 1717/4885

“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.