SCHEMBL4243743

SCHEMBL4243743

CCCCSc1cc(C(=O)Nc2ncc[nH]2)c2[nH]c(C(N)=O)nc2c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES O14684 11/20 0.35
HPGDS O60760 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
CYP1A2 P05177 1/20 0.33
HPGD P15428 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33
KCNH2 Q12809 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MAPT P10636 1/20 0.32
GCK P35557 1/20 0.31
HTT P42858 1/20 0.31
TUBB4A P04350 1/20 0.31
TUBB P07437 1/20 0.31
TUBA3C P0DPH7 1/20 0.31
TUBA1B P68363 1/20 0.31
TUBA4A P68366 1/20 0.31

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
SCHEMBL4244765 0.91 PTGES (0.37) PTGESHPGDSLMNAGCK
SCHEMBL4243747 0.89 PTGES (0.38) PTGESHPGDSSMN1; SMN2MEN1LMNA
SCHEMBL4234871 0.85 HPGDS (0.43) PTGESHPGDSSMN1; SMN2MEN1LMNA
SCHEMBL4237745 0.82 HPGDS (0.41) PTGESHPGDSSMN1; SMN2LMNATP53
SCHEMBL4240653 0.81 PTGES (0.34) PTGESHPGDSTUBB4ATUBBTUBA3C
SCHEMBL4243786 0.80 PTGES (0.40) PTGESHPGDSMEN1KMT2AGCK
SCHEMBL4239757 0.80 HPGDS (0.42) PTGESHPGDSSMN1; SMN2MEN1TP53
SCHEMBL1200889 0.80 HPGDS (0.35) PTGESHPGDSSMN1; SMN2MEN1LMNA
SCHEMBL4234929 0.79 PTGES (0.37) PTGESHPGDSSMN1; SMN2LMNAHTT
SCHEMBL4244769 0.79 PTGES (0.40) PTGESHPGDSLMNAGCKNPC1

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 7 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-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 PTGES 2022/4885HPGDS 2231/4885SMN1; SMN2 1971/4885
US-20060223849-A1 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors BACE1, BACE2, APP PTGES 2022/4885HPGDS 2231/4885SMN1; SMN2 1971/4885
US-20140066477-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors BACE1, BACE2, APP PTGES 2022/4885HPGDS 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.