SCHEMBL4239799

SCHEMBL4239799

NC(=O)c1nc2cc(S(=O)(=O)c3ccccc3)cc(C(=O)Nc3ncc[nH]3)c2[nH]1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 3/20 0.38
PDE4B Q07343 3/20 0.37
HPGDS O60760 1/20 0.35
LMNA P02545 3/20 0.35
POLB P06746 2/20 0.35
KDM4E B2RXH2 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
PTGES O14684 5/20 0.34
ALDH1A1 P00352 2/20 0.34
SLC16A1 P53985 1/20 0.34
ITGB3 P05106 1/20 0.33
ITGAV P06756 1/20 0.33

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
SCHEMBL4239804 0.88 PTGES (0.37) NAMPTPDE4BHPGDSLMNAPOLB
SCHEMBL4243619 0.87 HPGDS (0.37) NAMPTPDE4BHPGDSLMNAPOLB
SCHEMBL4239803 0.87 CHEK2 (0.39) LMNASMN1; SMN2ALDH1A1ITGB3ITGAV
SCHEMBL4234929 0.85 PTGES (0.37) HPGDSLMNAPOLBKDM4EHTT
SCHEMBL4248488 0.85 IKBKB (0.42) HPGDSPTGES
SCHEMBL4240653 0.81 PTGES (0.34) NAMPTHPGDSPOLBPTGES
SCHEMBL4242575 0.81 FAAH (0.41) HPGDSPTGES
SCHEMBL1202096 0.81 POLB (0.38) NAMPTHPGDSLMNAPOLBKDM4E
SCHEMBL4243786 0.81 PTGES (0.40) HPGDSPTGES
SCHEMBL4247703 0.80 ALDH1A1 (0.41) NAMPTPOLBKDM4EPTGESALDH1A1

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 5 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
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 NAMPT 842/4885PDE4B 1019/4885HPGDS 2231/4885
US-20060223849-A1 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors BACE1, BACE2, APP NAMPT 842/4885PDE4B 1019/4885HPGDS 2231/4885
US-20140066477-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors BACE1, BACE2, APP NAMPT 842/4885PDE4B 1019/4885HPGDS 2231/4885

“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.