SCHEMBL571672

SCHEMBL571672

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

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SERPINE1 P05121 4/20 0.46
▸ MAPT P10636 6/20 0.43
▸ GAA P10253 3/20 0.43
▸ GLA P06280 1/20 0.43
▸ HCAR3 P49019 3/20 0.42
▸ MAPK1 P28482 3/20 0.40
▸ NPSR1 Q6W5P4 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ DCTPP1 Q9H773 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ S1PR1 P21453 1/20 0.35
▸ S1PR5 Q9H228 1/20 0.35
▸ ALDH3A1 P30838 1/20 0.35
▸ PKM P14618 1/20 0.34
▸ RAB9A P51151 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
SCHEMBL571673 1.00 SERPINE1 (0.46) SERPINE1MAPTGAAGLAHCAR3
SCHEMBL572283 0.91 MAPT (0.43) SERPINE1MAPTGAAGLAHCAR3
SCHEMBL572284 0.91 MAPT (0.43) SERPINE1MAPTGAAGLAHCAR3
SCHEMBL571675 0.84 ALDH1A1 (0.37) SERPINE1GAAALDH1A1
SCHEMBL25407181 0.81 MAPT (0.40) SERPINE1MAPTGAAGLAHCAR3
SCHEMBL25407187 0.81 MAPT (0.40) SERPINE1MAPTGAAGLAHCAR3
SCHEMBL15192827 0.77 CYP2C19 (0.45) MAPTGAAGLAALDH1A1CYP1A2
SCHEMBL572759 0.75 PDGFRB (0.37) MAPTGAAALDH1A1HTT
SCHEMBL572758 0.75 PDGFRB (0.37) MAPTGAAALDH1A1HTT
SCHEMBL15199158 0.74 MAPT (0.46) SERPINE1MAPTGAAGLAHCAR3

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 SERPINE1 2456/4885MAPT 3852/4885GAA 1471/4885
US-20130217668-A1 BENZIMIDAZOLE AND AZABENZIMIDAZOLE COMPOUNDS THAT INHIBIT ANAPLASTIC LYMPHOMA KINASE BCL6, DCK, FLI1 SERPINE1 2456/4885MAPT 3852/4885GAA 1471/4885

“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.

Send feedback