SCHEMBL1201883

SCHEMBL1201883

CS(=O)(=O)c1cc(C(=O)Nc2ncc[nH]2)c2[nH]c(NC(=O)c3cc4ccccc4cn3)nc2c1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.40
HPGDS O60760 1/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
TDP1 Q9NUW8 2/20 0.38
KDM4E B2RXH2 2/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
PTGES O14684 5/20 0.35
NPC1 O15118 6/20 0.35
RAB9A P51151 6/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
KLF5 Q13887 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
HSP90AA1 P07900 1/20 0.34
PKM P14618 1/20 0.34
PAX8 Q06710 1/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL1201491 0.91 POLB (0.39) POLBHPGDSSMN1; SMN2TDP1KDM4E
SCHEMBL1202096 0.91 POLB (0.38) POLBHPGDSSMN1; SMN2TDP1KDM4E
SCHEMBL1202102 0.88 POLB (0.37) POLBHPGDSSMN1; SMN2TDP1KDM4E
SCHEMBL1201182 0.87 NPC1 (0.41) POLBHPGDSSMN1; SMN2TDP1LMNA
SCHEMBL1202031 0.86 HPGDS (0.50) POLBHPGDSSMN1; SMN2TDP1KDM4E
SCHEMBL1201712 0.85 GPR27 (0.38) POLBHPGDSSMN1; SMN2TDP1KDM4E
SCHEMBL1202439 0.85 HPGDS (0.38) POLBHPGDSSMN1; SMN2TDP1LMNA
SCHEMBL1202178 0.84 NPC1 (0.42) POLBHPGDSSMN1; SMN2TDP1LMNA
SCHEMBL1201671 0.84 HPGDS (0.42) POLBHPGDSSMN1; SMN2TDP1KDM4E
SCHEMBL1202144 0.83 NPC1 (0.43) POLBHPGDSSMN1; SMN2TDP1PTGES

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
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
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 (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 POLB 972/4885HPGDS 2231/4885SMN1; SMN2 1971/4885
US-20110065713-A1 Benzazole Derivatives, Compositions, and Methods of Use as B-Secretase Inhibitors BACE1, BACE2, APP POLB 940/4885HPGDS 2366/4885SMN1; SMN2 2050/4885
US-20140066477-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors BACE1, BACE2, APP POLB 972/4885HPGDS 2231/4885SMN1; SMN2 1971/4885

“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.