SCHEMBL572286

SCHEMBL572286

CC(C)NC(=O)C1CCC(Nc2cc(F)ccc2[N+](=O)[O-])CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.47
MAPK1 P28482 1/20 0.47
GAA P10253 3/20 0.46
GLA P06280 1/20 0.46
HCAR3 P49019 3/20 0.44
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
HTT P42858 1/20 0.42
DCTPP1 Q9H773 1/20 0.42
EPHX2 P34913 1/20 0.42
ALDH1A1 P00352 3/20 0.40
KMT2A Q03164 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
MEN1 O00255 2/20 0.39
SERPINE1 P05121 1/20 0.39
LMNA P02545 2/20 0.37
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL572285 1.00 MAPT (0.47) MAPTMAPK1GAAGLAHCAR3
SCHEMBL15199183 0.88 MAPT (0.48) MAPTMAPK1GAAGLAHCAR3
SCHEMBL572484 0.87 ALDH1A1 (0.48) MAPTMAPK1GAAGLAHCAR3
SCHEMBL572549 0.87 ALDH1A1 (0.48) MAPTMAPK1GAAGLAHCAR3
SCHEMBL573517 0.85 MAPT (0.46) MAPTMAPK1GAAGLAHCAR3
SCHEMBL572616 0.85 MAPT (0.46) MAPTMAPK1GAAGLAHCAR3
SCHEMBL572617 0.85 MAPT (0.46) MAPTMAPK1GAAGLAHCAR3
SCHEMBL573518 0.85 MAPT (0.46) MAPTMAPK1GAAGLAHCAR3
SCHEMBL10175331 0.83 MAPT (0.60) MAPTMAPK1GAAGLAHCAR3
SCHEMBL28505132 0.83 MAPT (0.48) MAPTMAPK1GAAGLAHCAR3

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 3852/4885MAPK1 156/4885GAA 1471/4885
US-20130217668-A1 BENZIMIDAZOLE AND AZABENZIMIDAZOLE COMPOUNDS THAT INHIBIT ANAPLASTIC LYMPHOMA KINASE BCL6, DCK, FLI1 MAPT 3852/4885MAPK1 156/4885GAA 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.