SCHEMBL572283

SCHEMBL572283

COC(=O)C1CCC(Nc2cc(CO[Si](C(C)C)(C(C)C)C(C)C)ccc2[N+](=O)[O-])CC1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 10/20 0.43
▸ GAA P10253 2/20 0.43
▸ GLA P06280 1/20 0.43
▸ MAPK1 P28482 3/20 0.40
▸ HCAR3 P49019 3/20 0.39
▸ SERPINE1 P05121 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ DCTPP1 Q9H773 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ PDGFRB P09619 1/20 0.35
▸ PDGFRA P16234 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ IDO1 P14902 1/20 0.34

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
SCHEMBL572284 1.00 MAPT (0.43) MAPTGAAGLAMAPK1HCAR3
SCHEMBL571672 0.91 SERPINE1 (0.46) MAPTGAAGLAMAPK1HCAR3
SCHEMBL571673 0.91 SERPINE1 (0.46) MAPTGAAGLAMAPK1HCAR3
SCHEMBL572759 0.84 PDGFRB (0.37) MAPTGAAALDH1A1HTTHPGD
SCHEMBL572758 0.84 PDGFRB (0.37) MAPTGAAALDH1A1HTTHPGD
SCHEMBL15199158 0.84 MAPT (0.46) MAPTGAAGLAMAPK1HCAR3
SCHEMBL25407187 0.78 MAPT (0.40) MAPTGAAGLAMAPK1HCAR3
SCHEMBL25407181 0.78 MAPT (0.40) MAPTGAAGLAMAPK1HCAR3
SCHEMBL28505132 0.77 MAPT (0.48) MAPTGAAGLAMAPK1HCAR3
SCHEMBL28505134 0.77 MAPT (0.48) MAPTGAAGLAMAPK1HCAR3

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 MAPT 3852/4885GAA 1471/4885GLA 2422/4885
US-20130217668-A1 BENZIMIDAZOLE AND AZABENZIMIDAZOLE COMPOUNDS THAT INHIBIT ANAPLASTIC LYMPHOMA KINASE BCL6, DCK, FLI1 MAPT 3852/4885GAA 1471/4885GLA 2422/4885

“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.

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