SCHEMBL4210155

SCHEMBL4210155

CCS(=O)(=O)Nc1c(C(N)=O)cccc1C(N)=O

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 10/20 0.43
KDM4E B2RXH2 6/20 0.43
ALDH1A1 P00352 5/20 0.43
HSD17B10 Q99714 4/20 0.43
MAPT P10636 3/20 0.43
GAA P10253 2/20 0.43
MEN1 O00255 1/20 0.43
GFER P55789 1/20 0.43
KMT2A Q03164 1/20 0.43
LMNA P02545 2/20 0.42
PARP1 P09874 2/20 0.41
KCNA5 P22460 1/20 0.40
PSIP1 O75475 1/20 0.40
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 1/20 0.39
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL4209370 0.82 ALDH1A1 (0.54) HPGDKDM4EALDH1A1HSD17B10MEN1
SCHEMBL22638691 0.81 KDM4E (0.62) HPGDKDM4EALDH1A1HSD17B10MEN1
SCHEMBL3352226 0.74 CA2 (0.44) HPGDKDM4EALDH1A1HSD17B10MAPT
SCHEMBL5392312 0.74 TP53 (0.53) HPGDKDM4EALDH1A1HSD17B10MAPT
SCHEMBL530856 0.72 ACLY (0.47) ALDH1A1MEN1KMT2APARP1KEAP1
SCHEMBL3382921 0.72 KEAP1 (0.38) HPGDKDM4EALDH1A1HSD17B10KMT2A
SCHEMBL3478286 0.71 SCN5A (0.50) HPGDKDM4EALDH1A1HSD17B10MAPT
SCHEMBL4424090 0.71 HTT (0.44) HPGDKDM4EALDH1A1HSD17B10MAPT
SCHEMBL11229321 0.71 TSHR (0.52) HPGDKDM4EALDH1A1HSD17B10MAPT
SCHEMBL5710728 0.70 HPGD (0.42) HPGDKDM4EALDH1A1HSD17B10MAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7504420-B2 Compounds which inhibit beta-secretase activity and methods of use COMENTIS, INC. (US) 2009-03-17 US disclosed
US-20080176939-A1 COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF COMENTIS, INC. (US) 2008-07-24 US disclosed
US-20070117793-A1 Compounds Which Inhibit Beta-Secretase Activity and Methods of Use ZAPAQ, INC. (US) 2007-05-24 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 (2 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-20070117793-A1 Compounds Which Inhibit Beta-Secretase Activity and Methods of Use BACE1, BACE2, APP HPGD 2868/4885KDM4E 2484/4885ALDH1A1 3030/4885
US-20080176939-A1 COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF BACE1, BACE2, APP HPGD 2700/4885KDM4E 2768/4885ALDH1A1 2912/4885

“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.