SCHEMBL1201413

SCHEMBL1201413

CCOc1cc(C(=O)OC)c2nc(N)[nH]c2c1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.40
TDP1 Q9NUW8 1/20 0.38
TSHR P16473 5/20 0.36
GAA P10253 2/20 0.36
MAPK1 P28482 1/20 0.36
MAPT P10636 4/20 0.35
ALDH1A1 P00352 3/20 0.35
HTT P42858 1/20 0.35
CYP3A4 P08684 1/20 0.35
HSD17B10 Q99714 2/20 0.35
POLB P06746 2/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
KMT2A Q03164 1/20 0.34
CFTR P13569 1/20 0.33
GSK3B P49841 1/20 0.33
ILK Q13418 1/20 0.33
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32

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
SCHEMBL1202259 0.88 TSHR (0.43) KDM4ETSHRGAAMAPTALDH1A1
SCHEMBL18225912 0.75 TSHR (0.38) KDM4ETDP1TSHRGAAMAPT
SCHEMBL4241471 0.73 PTGES (0.41) MAPTHTTPOLBSMN1; SMN2KMT2A
SCHEMBL6384036 0.72 KDM4E (0.69) KDM4ETDP1TSHRGAAMAPT
SCHEMBL1202233 0.70 PDE4A (0.46) KDM4ETSHRGAAMAPTALDH1A1
SCHEMBL18225814 0.70 KDM4E (0.41) KDM4ETDP1TSHRGAAMAPT
SCHEMBL15808720 0.70 NQO2 (0.40) TDP1TSHRGAAMAPK1MAPT
SCHEMBL26814501 0.70 KDM4E (0.49) KDM4ETDP1TSHRGAAMAPK1
SCHEMBL26063567 0.69 KDM4E (0.46) KDM4ETDP1TSHRGAAMAPK1
SCHEMBL1012737 0.68 KDM4E (0.78) KDM4ETDP1TSHRGAAMAPK1

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-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-1863771-B1 BENZAZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE AS B-SECRETASE INHIBITORS HIGH POINT PHARMACEUTICALS LLC (US) 2012-11-07 EP 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-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
EP-1863771-A2 BENZAZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE AS B-SECRETASE INHIBITORS Transtech Pharma, Inc. (US) 2007-12-12 EP disclosed
US-20060223849-A1 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors HIGH POINT PHARMACEUTICALS, LLC 2006-10-05 US disclosed
WO-2006099379-A2 BENZAZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE AS B-SECRETASE INHIBITORS TRANSTECH PHARMA, INC. (US) 2006-09-21 WO 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 (4 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 3510/4885TDP1 595/4885TSHR 4866/4885
US-20110065713-A1 Benzazole Derivatives, Compositions, and Methods of Use as B-Secretase Inhibitors BACE1, BACE2, APP KDM4E 3536/4885TDP1 654/4885TSHR 4862/4885
US-20060223849-A1 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors BACE1, BACE2, APP KDM4E 3510/4885TDP1 595/4885TSHR 4866/4885
US-20140066477-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors BACE1, BACE2, APP KDM4E 3510/4885TDP1 595/4885TSHR 4866/4885

“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.