SCHEMBL5475893

SCHEMBL5475893

CC1(C)NS(=O)(=O)c2cc(N)ccc21

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 3/20 0.42
CA12 O43570 2/20 0.42
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
CASP1 P29466 1/20 0.35
RECQL P46063 1/20 0.35
CASP7 P55210 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HSD17B10 Q99714 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ABCC8 Q09428 1/20 0.35
KCNJ11 Q14654 1/20 0.35
BACE1 P56817 6/20 0.33
BACE2 Q9Y5Z0 3/20 0.31
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30

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
SCHEMBL24697302 0.79 CA2 (0.44) CA9CA12BACE1CA1CA2
SCHEMBL31568291 0.79 CA2 (0.44) CA9CA12BACE1CA1CA2
Ammonia Solution, Strong SCHEMBL446104 0.72 KMT2A (0.38) CA9CA12KDM4EMAPTHSD17B10
SCHEMBL5188773 0.70 CA12 (0.39) CA9CA12KDM4EMAPTBACE1
SCHEMBL14425421 0.69 CA1 (0.41) CA9CA12KDM4EMAPTRECQL
SCHEMBL31568209 0.68 CA1 (0.41) CA9CA12BACE1BACE2CA1
SCHEMBL6193575 0.68 CA12 (0.40) CA9CA12CA1CA2
SCHEMBL9243179 0.63 KMT2A (0.50) CA9CA12KDM4EGAAMAPT
SCHEMBL1709872 0.63 CA9 (0.44) CA9CA12KDM4EGAAMAPT
SCHEMBL2144444 0.62 NPC1 (0.37) CA9CA12CASP1CASP7NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070259891-A1 Heterocycle-Substituted Cyclic Urea Derivatives, Preparation Thereof And Pharmaceutical Use Thereof As Kinase Inhibitors AVENTIS PHARMA S.A. (FR) 2007-11-08 US disclosed
US-7101868-B2 Substituted arylamine derivatives and methods of use AMGEN INC. (US) 2006-09-05 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 (1 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-20070259891-A1 Heterocycle-Substituted Cyclic Urea Derivatives, Preparation Thereof And Pharmaceutical Use Thereof As Kinase Inhibitors CDK1, PRKAR2B, MAP3K19 CA9 3416/4885CA12 4622/4885KDM4E 1363/4885

“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.