SCHEMBL571675

SCHEMBL571675

CC(C)[Si](OCc1ccc(N)c(NC2CCC(C(=O)O)CC2)c1)(C(C)C)C(C)C

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.37
▸ GAA P10253 1/20 0.37
▸ ALOX15 P16050 2/20 0.34
▸ SELL P14151 2/20 0.33
▸ SELP P16109 2/20 0.33
▸ SELE P16581 2/20 0.33
▸ SERPINE1 P05121 1/20 0.33
▸ PARP1 P09874 1/20 0.32
▸ HDAC1 Q13547 1/20 0.32
▸ ACACB O00763 1/20 0.32
▸ PDE7A Q13946 1/20 0.32
▸ CNR1 P21554 1/20 0.32
▸ CNR2 P34972 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ ACSL1 P33121 1/20 0.31
▸ HSP90AA1 P07900 1/20 0.31
▸ CYP4F2 P78329 1/20 0.31
▸ CYP4A11 Q02928 1/20 0.31

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
SCHEMBL572759 0.91 PDGFRB (0.37) ALDH1A1GAAALOX15PARP1ACACB
SCHEMBL572758 0.91 PDGFRB (0.37) ALDH1A1GAAALOX15PARP1ACACB
SCHEMBL571672 0.84 SERPINE1 (0.46) ALDH1A1GAASERPINE1
SCHEMBL571673 0.84 SERPINE1 (0.46) ALDH1A1GAASERPINE1
SCHEMBL25404464 0.79 GFER (0.36) ALOX15HDAC1
SCHEMBL25404455 0.79 GFER (0.36) ALOX15HDAC1
SCHEMBL572284 0.75 MAPT (0.43) ALDH1A1GAASERPINE1
SCHEMBL572283 0.75 MAPT (0.43) ALDH1A1GAASERPINE1
SCHEMBL15192178 0.73 POLB (0.37) ALDH1A1
SCHEMBL15199157 0.71 ALOX15 (0.43) ALDH1A1GAAALOX15PDE7ATSHR

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 ALDH1A1 607/4885GAA 1471/4885ALOX15 3658/4885
US-20130217668-A1 BENZIMIDAZOLE AND AZABENZIMIDAZOLE COMPOUNDS THAT INHIBIT ANAPLASTIC LYMPHOMA KINASE BCL6, DCK, FLI1 ALDH1A1 607/4885GAA 1471/4885ALOX15 3658/4885

“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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