SCHEMBL4210157

SCHEMBL4210157

CN(c1c(C(N)=O)cccc1C(N)=O)S(C)(=O)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.46
KEAP1 Q14145 1/20 0.43
NFE2L2 Q16236 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.40
POLB P06746 2/20 0.40
TSHR P16473 3/20 0.40
ALDH1A1 P00352 5/20 0.39
KDM4E B2RXH2 3/20 0.39
MAPT P10636 2/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
USP2 O75604 2/20 0.38
MAPK1 P28482 1/20 0.38
PKM P14618 1/20 0.38
PARP1 P09874 1/20 0.38
METAP2 P50579 1/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL4752383 0.93 KMT2A (0.42) KMT2AKEAP1NFE2L2L3MBTL1POLB
Trifluoroacetic Acid SCHEMBL30005486 0.89 L3MBTL1 (0.40) KMT2AKEAP1NFE2L2L3MBTL1POLB
SCHEMBL5186948 0.83 KMT2A (0.47) KMT2AL3MBTL1TSHRALDH1A1KDM4E
SCHEMBL4209375 0.80 ALDH1A1 (0.54) L3MBTL1POLBALDH1A1KDM4EHPGD
SCHEMBL28002534 0.80 KMT2A (0.66) KMT2AL3MBTL1POLBTSHRALDH1A1
Hydrochloric Acid SCHEMBL30006002 0.79 KMT2A (0.64) KMT2AL3MBTL1POLBTSHRALDH1A1
Hydrochloric Acid SCHEMBL30004917 0.79 KMT2A (0.64) KMT2AL3MBTL1POLBTSHRALDH1A1
SCHEMBL26514001 0.74 ALDH1A1 (0.44) KMT2AKEAP1NFE2L2POLBTSHR
SCHEMBL166441 0.74 KMT2A (0.61) KMT2AL3MBTL1POLBTSHRALDH1A1
SCHEMBL23073727 0.73 PARP1 (0.43) KMT2AL3MBTL1TSHRALDH1A1KDM4E

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 KMT2A 3302/4885KEAP1 2601/4885NFE2L2 4122/4885
US-20080176939-A1 COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF BACE1, BACE2, APP KMT2A 3649/4885KEAP1 2124/4885NFE2L2 3980/4885

“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.