SCHEMBL573184

SCHEMBL573184

O=C(O)N1CCC(Nc2cc(Cl)ncc2[N+](=O)[O-])CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 3/20 0.43
DCTPP1 Q9H773 1/20 0.43
HSD11B1 P28845 1/20 0.42
MAPK1 P28482 5/20 0.41
MAPT P10636 4/20 0.41
PKM P14618 1/20 0.40
RAB9A P51151 1/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HTT P42858 1/20 0.39
LMNA P02545 2/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
OPRK1 P41145 1/20 0.36

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
SCHEMBL30726366 0.85 MEN1 (0.49) HCAR3DCTPP1MAPK1MAPTMEN1
SCHEMBL15174387 0.85 MEN1 (0.49) HCAR3DCTPP1MAPK1MAPTMEN1
SCHEMBL572380 0.84 CNR1 (0.48) MAPK1MAPTRAB9AHTTLMNA
SCHEMBL572153 0.83 HCAR3 (0.48) HCAR3DCTPP1MAPK1MAPTMEN1
SCHEMBL572975 0.83 HCAR3 (0.48) HCAR3DCTPP1MAPK1MAPTMEN1
SCHEMBL572154 0.83 HCAR3 (0.48) HCAR3DCTPP1MAPK1MAPTMEN1
SCHEMBL15740508 0.82 MEN1 (0.57) HCAR3MAPK1MAPTMEN1KMT2A
SCHEMBL15740481 0.82 MEN1 (0.53) HCAR3MAPK1MAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL572315 0.82 HCAR3 (0.47) HCAR3DCTPP1MAPK1MAPTMEN1
Hydrochloric Acid SCHEMBL572339 0.82 HCAR3 (0.47) HCAR3DCTPP1MAPK1MAPTMEN1

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 4170/4885DCTPP1 1233/4885HSD11B1 1590/4885
US-20130217668-A1 BENZIMIDAZOLE AND AZABENZIMIDAZOLE COMPOUNDS THAT INHIBIT ANAPLASTIC LYMPHOMA KINASE BCL6, DCK, FLI1 HCAR3 4170/4885DCTPP1 1233/4885HSD11B1 1590/4885

“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.