SCHEMBL573138

SCHEMBL573138

CC(C)NC(=O)C1CCC(Nc2cc(S(C)(=O)=O)ccc2N)CC1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AOC2 O75106 1/20 0.39
CLK1 P49759 1/20 0.38
EPHX2 P34913 1/20 0.38
YAP1 P46937 1/20 0.38
BRD4 O60885 1/20 0.37
CNR1 P21554 1/20 0.37
ALDH1A1 P00352 1/20 0.37
THRB P10828 1/20 0.37
MAPK8 P45983 1/20 0.36
MAPK9 P45984 1/20 0.36
MAPK10 P53779 1/20 0.36
LRRK2 Q5S007 1/20 0.36
KMT2A Q03164 1/20 0.36
TSHR P16473 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
ACACB O00763 1/20 0.35
GAA P10253 1/20 0.35
G6PD P11413 1/20 0.35
IDE P14735 1/20 0.35

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
SCHEMBL573137 1.00 AOC2 (0.39) AOC2CLK1EPHX2YAP1BRD4
SCHEMBL20337739 0.84 G6PD (0.47) YAP1BRD4ALDH1A1MAPK8MAPK9
SCHEMBL573518 0.84 MAPT (0.46) CLK1ALDH1A1THRBKMT2AL3MBTL1
SCHEMBL573517 0.84 MAPT (0.46) CLK1ALDH1A1THRBKMT2AL3MBTL1
SCHEMBL15199184 0.83 NPC1 (0.41) KMT2AACACBGAA
SCHEMBL572674 0.82 SMN1; SMN2 (0.46) ALDH1A1KMT2AACACBGAA
SCHEMBL572724 0.82 HDAC1 (0.47) ALDH1A1KMT2ATSHRL3MBTL1ACACB
SCHEMBL572675 0.82 SMN1; SMN2 (0.46) ALDH1A1KMT2AACACBGAA
SCHEMBL572723 0.82 HDAC1 (0.47) ALDH1A1KMT2ATSHRL3MBTL1ACACB
SCHEMBL572658 0.81 ACACB (0.41) ACACB

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-20160046625-A1 BENZIMIDAZOLE AND AZABENZIMIDAZOLE COMPOUNDS THAT INHIBIT ANAPLASTIC LYMPHOMA KINASE AMGEN INC (US) 2016-02-18 US disclosed
US-9115127-B2 Benzimidazole and azabenzimidazole compounds that inhibit anaplastic lymphoma kinase AMGEN INC. (US) 2015-08-25 US disclosed
US-20130217668-A1 BENZIMIDAZOLE AND AZABENZIMIDAZOLE COMPOUNDS THAT INHIBIT ANAPLASTIC LYMPHOMA KINASE AMGEN INC. (US) 2013-08-22 US disclosed
EP-2611784-A1 BENZIMIDAZOLE AND AZABENZIMIDAZOLE COMPOUNDS THAT INHIBIT ANAPLASTIC LYMPHOMA KINASE Amgen, Inc (US) 2013-07-10 EP disclosed
WO-2012018668-A1 BENZIMIDAZOLE AND AZABENZIMIDAZOLE COMPOUNDS THAT INHIBIT ANAPLASTIC LYMPHOMA KINASE AMGEN INC. (US) 2012-02-09 WO 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-20160046625-A1 BENZIMIDAZOLE AND AZABENZIMIDAZOLE COMPOUNDS THAT INHIBIT ANAPLASTIC LYMPHOMA KINASE BCL6, DCK, FLI1 AOC2 3191/4885CLK1 1450/4885EPHX2 4373/4885
US-20130217668-A1 BENZIMIDAZOLE AND AZABENZIMIDAZOLE COMPOUNDS THAT INHIBIT ANAPLASTIC LYMPHOMA KINASE BCL6, DCK, FLI1 AOC2 3191/4885CLK1 1450/4885EPHX2 4373/4885

“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.