SCHEMBL4239198

SCHEMBL4239198

Nc1nc2c(C(=O)Nc3ccc(Oc4ccccc4)cc3)cccc2[nH]1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNLIP P16233 4/20 0.54
CHEK2 O96017 1/20 0.54
DHODH Q02127 2/20 0.53
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
MAPK1 P28482 1/20 0.49
GFER P55789 1/20 0.49
PGR P06401 1/20 0.49
LMNA P02545 2/20 0.46
POLB P06746 2/20 0.46
MITF O75030 1/20 0.46
KDR P35968 2/20 0.46
ALDH1A1 P00352 2/20 0.46
HTT P42858 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
NPC1 O15118 1/20 0.46
GAA P10253 1/20 0.46
HPGD P15428 1/20 0.46
RAB9A P51151 1/20 0.46

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
SCHEMBL4246152 0.91 DHODH (0.52) CHEK2DHODHMEN1KMT2AMAPK1
SCHEMBL11428622 0.89 PRKCI (0.50) DHODHMEN1KMT2ALMNAPOLB
SCHEMBL4239192 0.86 CHEK2 (0.57) PNLIPCHEK2DHODHMEN1KMT2A
SCHEMBL4240847 0.84 TDP1 (0.55) CHEK2DHODHMEN1KMT2AL3MBTL1
SCHEMBL4244339 0.83 LMNA (0.50) DHODHMEN1KMT2AMAPK1LMNA
SCHEMBL4247673 0.81 CHEK2 (0.49) CHEK2DHODHALDH1A1
SCHEMBL4246148 0.78 CHEK2 (0.53) CHEK2DHODHMAPK1GFERLMNA
SCHEMBL1200843 0.78 MEN1 (0.46) PNLIPCHEK2DHODHMEN1KMT2A
SCHEMBL4235729 0.76 IMPDH2 (0.49)
SCHEMBL4246271 0.76 ALDH1A1 (0.53) DHODHMEN1KMT2AMAPK1LMNA

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-8598353-B2 Benzazole derivatives, compositions, and methods of use as β-secretase inhibitors HIGH POINT PHARMACEUTICALS, LLC (US) 2013-12-03 US claimed
EP-1863771-A2 BENZAZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE AS B-SECRETASE INHIBITORS Transtech Pharma, Inc. (US) 2007-12-12 EP claimed
US-20060223849-A1 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors HIGH POINT PHARMACEUTICALS, LLC 2006-10-05 US claimed
WO-2006099379-A2 BENZAZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE AS B-SECRETASE INHIBITORS TRANSTECH PHARMA, INC. (US) 2006-09-21 WO 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
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 PNLIP 785/4885CHEK2 3480/4885DHODH 907/4885
US-20060223849-A1 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors BACE1, BACE2, APP PNLIP 785/4885CHEK2 3480/4885DHODH 907/4885
US-20140066477-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors BACE1, BACE2, APP PNLIP 785/4885CHEK2 3480/4885DHODH 907/4885

“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.