SCHEMBL9611633

SCHEMBL9611633

CS(=O)(=O)c1ccc(CNC(=O)c2cccc3[nH]c(NC(=O)c4cccc(-c5ccccc5)n4)nc23)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
POLB P06746 1/20 0.42
KMT2A Q03164 1/20 0.42
MAPK8 P45983 8/20 0.41
MAPK9 P45984 8/20 0.41
MAPK10 P53779 6/20 0.41
CNR2 P34972 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
NAMPT P43490 2/20 0.41
CYP2C9 P11712 1/20 0.41
MAOB P27338 1/20 0.40
ADORA2A P29274 1/20 0.40
ADORA2B P29275 1/20 0.40
ADORA1 P30542 1/20 0.40
KAT6A Q92794 1/20 0.40
HPGD P15428 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CCR1 P32246 1/20 0.39

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
SCHEMBL4235027 0.86 MAOB (0.43) MEN1KMT2AMAOBADORA2AADORA2B
SCHEMBL1201682 0.85 MAPK8 (0.40) MAPK8MAPK9MAPK10CA1CA2
SCHEMBL1201420 0.83 NAMPT (0.44) MEN1KMT2AMAPK8MAPK9MAPK10
SCHEMBL4242624 0.81 DHODH (0.52) KDM4ECNR2MAOBADORA2AADORA2B
SCHEMBL4239506 0.81 PRKDC (0.43) MEN1KMT2ACNR2MAOBADORA2A
SCHEMBL8260877 0.81 MAOB (0.49) MEN1KMT2ACNR2MAOBADORA2A
SCHEMBL1202270 0.80 PARP1 (0.38) KDM4EMEN1POLBKMT2AMAOB
SCHEMBL12846013 0.78 MAOB (0.47) MEN1KMT2ACNR2MAOBADORA2A
SCHEMBL9611650 0.78 RIPK1 (0.52) CNR2MAOBADORA2AADORA2BADORA1
SCHEMBL4239542 0.77 CYP2C9 (0.49) KDM4EMAPK8MAPK9MAPK10NAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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

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-20090326006-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors BACE1, BACE2, APP KDM4E 3510/4885MEN1 2918/4885POLB 972/4885
US-20110065713-A1 Benzazole Derivatives, Compositions, and Methods of Use as B-Secretase Inhibitors BACE1, BACE2, APP KDM4E 3536/4885MEN1 3092/4885POLB 940/4885

“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.