SCHEMBL571880

SCHEMBL571880

CC(C)NC(=O)C1CCC(Nc2cc(OCCN3CCCCC3)ccc2N)CC1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 10/20 0.46
KCNH2 Q12809 1/20 0.46
PSMB1 P20618 2/20 0.44
PSMB5 P28074 2/20 0.44
PSMB2 P49721 1/20 0.44
ACACB O00763 1/20 0.42
KDM4E B2RXH2 4/20 0.42
MAOB P27338 1/20 0.42
POLB P06746 1/20 0.42
LTA4H P09960 1/20 0.41

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
SCHEMBL15192758 1.00 HRH3 (0.46) HRH3KCNH2PSMB1PSMB5PSMB2
SCHEMBL15192603 0.92 HRH3 (0.46) HRH3ACACBKDM4E
SCHEMBL15192602 0.92 HRH3 (0.46) HRH3ACACBKDM4E
SCHEMBL15192492 0.86 KDM4E (0.55) HRH3KCNH2PSMB1PSMB5PSMB2
SCHEMBL572496 0.86 KDM4E (0.55) HRH3KCNH2PSMB1PSMB5PSMB2
SCHEMBL572249 0.84 HRH3 (0.38) HRH3KCNH2ACACB
SCHEMBL572250 0.84 HRH3 (0.38) HRH3KCNH2ACACB
SCHEMBL572453 0.82 ALK (0.48) ACACB
SCHEMBL15192190 0.82 ALK (0.48) ACACB
SCHEMBL571869 0.79 ACACB (0.45) PSMB5ACACBPOLB

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 HRH3 4105/4885KCNH2 952/4885PSMB1 3150/4885
US-20130217668-A1 BENZIMIDAZOLE AND AZABENZIMIDAZOLE COMPOUNDS THAT INHIBIT ANAPLASTIC LYMPHOMA KINASE BCL6, DCK, FLI1 HRH3 4105/4885KCNH2 952/4885PSMB1 3150/4885

“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.