SCHEMBL9944765

SCHEMBL9944765

CCNc1cc(Cl)c(C(=O)O)cc1[N+](=O)[O-]

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 7/20 0.58
PGK1 P00558 1/20 0.45
LMNA P02545 1/20 0.43
MAPT P10636 6/20 0.42
CDC25B P30305 1/20 0.41
ALDH1A1 P00352 2/20 0.41
HTT P42858 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TSHR P16473 1/20 0.41
GAA P10253 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
PLA2G1B P04054 1/20 0.41
ATG4B Q9Y4P1 1/20 0.41
SLC25A1 P53007 1/20 0.41
HPGD P15428 1/20 0.40

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
SCHEMBL13401684 0.88 HCAR3 (0.64) HCAR3LMNAMAPTCDC25BALDH1A1
SCHEMBL16882061 0.86 HCAR3 (0.49) HCAR3PGK1LMNAMAPTALDH1A1
SCHEMBL9945013 0.84 HCAR3 (0.41) HCAR3LMNAMAPTCDC25BHTT
SCHEMBL17008983 0.84 ALDH1A1 (0.56) HCAR3LMNAMAPTALDH1A1KMT2A
SCHEMBL9898957 0.84 HCAR3 (0.55) HCAR3LMNAMAPTCDC25BALDH1A1
SCHEMBL16406347 0.83 PGK1 (0.53) HCAR3PGK1LMNAMAPTALDH1A1
SCHEMBL9898758 0.82 MAPT (0.42) HCAR3MAPTHTTTSHRGAA
SCHEMBL9945023 0.81 MAPT (0.43) HCAR3LMNAMAPTALDH1A1HTT
SCHEMBL3915677 0.81 SLC9A1 (0.51) HCAR3LMNAMAPTCDC25BALDH1A1
SCHEMBL12494815 0.81 ALDH1A1 (0.54) HCAR3LMNAMAPTALDH1A1HTT

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3022198-B1 NOVEL 5-SUBSTITUTED BENZIMIDAZOLIUM COMPOUNDS BOEHRINGER INGELHEIM INT (DE) 2019-09-11 EP disclosed
US-20180105512-A1 SUBSTITUTED BENZIMIDAZOLIUM COMPOUNDS USEFUL IN THE TREATMENT OF RESPIRATORY DISEASES BOEHRINGER INGELHEIM INT (DE) 2018-04-19 US disclosed
WO-2016113167-A1 SUBSTITUTED BENZIMIDAZOLIUM COMPOUNDS USEFUL IN THE TREATMENT OF RESPIRATORY DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-07-21 WO disclosed
US-9073954-B2 5-substituted benzimidazolium compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-07-07 US disclosed
WO-2015007516-A1 NOVEL 5-SUBSTITUTED BENZIMIDAZOLIUM COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-01-22 WO disclosed
US-8674113-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-03-18 US disclosed
US-20120149676-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-14 US 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-20180105512-A1 SUBSTITUTED BENZIMIDAZOLIUM COMPOUNDS USEFUL IN THE TREATMENT OF RESPIRATORY DISEASES TPSD1, TPSAB1, TMSB4X HCAR3 2156/4885PGK1 619/4885LMNA 284/4885
US-20120149676-A1 NOVEL COMPOUNDS PTGS1, PTGER1, PTGES HCAR3 228/4885PGK1 634/4885LMNA 1817/4885

“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.