SCHEMBL572154

SCHEMBL572154

O=C(O)C1CCC(Nc2cc(Cl)ncc2[N+](=O)[O-])CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 3/20 0.48
MAPT P10636 4/20 0.44
NPSR1 Q6W5P4 1/20 0.44
DCTPP1 Q9H773 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
SERPINE1 P05121 2/20 0.41
MAPK1 P28482 1/20 0.40
TDP1 Q9NUW8 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
POLB P06746 2/20 0.39
GSK3A P49840 1/20 0.39
GSK3B P49841 1/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
ALDH1A1 P00352 1/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
CYP1A2 P05177 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL572975 1.00 HCAR3 (0.48) HCAR3MAPTNPSR1DCTPP1MEN1
SCHEMBL572153 1.00 HCAR3 (0.48) HCAR3MAPTNPSR1DCTPP1MEN1
Hydrochloric Acid SCHEMBL572314 0.99 HCAR3 (0.47) HCAR3MAPTNPSR1DCTPP1MEN1
Hydrochloric Acid SCHEMBL572339 0.99 HCAR3 (0.47) HCAR3MAPTNPSR1DCTPP1MEN1
Hydrochloric Acid SCHEMBL572315 0.99 HCAR3 (0.47) HCAR3MAPTNPSR1DCTPP1MEN1
SCHEMBL30726366 0.90 MEN1 (0.49) HCAR3MAPTDCTPP1MEN1KMT2A
SCHEMBL15174387 0.90 MEN1 (0.49) HCAR3MAPTDCTPP1MEN1KMT2A
SCHEMBL572602 0.89 HCAR3 (0.44) HCAR3MAPTDCTPP1MEN1KMT2A
SCHEMBL572603 0.89 HCAR3 (0.44) HCAR3MAPTDCTPP1MEN1KMT2A
SCHEMBL572217 0.87 MAPT (0.44) HCAR3MAPTNPSR1DCTPP1MEN1

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 HCAR3 4170/4885MAPT 3852/4885NPSR1 4833/4885
US-20130217668-A1 BENZIMIDAZOLE AND AZABENZIMIDAZOLE COMPOUNDS THAT INHIBIT ANAPLASTIC LYMPHOMA KINASE BCL6, DCK, FLI1 HCAR3 4170/4885MAPT 3852/4885NPSR1 4833/4885

“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.