SCHEMBL19764227

SCHEMBL19764227

COCCCc1cccc([N+](=O)[O-])c1N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ HTT P42858 1/20 0.42
▸ MAPT P10636 2/20 0.40
▸ TDP1 Q9NUW8 3/20 0.40
▸ TSHR P16473 2/20 0.39
▸ NPC1 O15118 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ RECQL P46063 1/20 0.38
▸ KMT2A Q03164 3/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ GAA P10253 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ HTR1A P08908 1/20 0.37
▸ ADRA1D P25100 1/20 0.37
▸ ADRA1A P35348 1/20 0.37
▸ ADRA1B P35368 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ HPGD P15428 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
SCHEMBL20749087 0.86 ALDH1A1 (0.53) ALDH1A1L3MBTL1HTTMAPTTDP1
SCHEMBL28796972 0.82 BID (0.43) ALDH1A1MAPTTDP1TSHRGAA
SCHEMBL28912669 0.81 ALDH1A1 (0.51) ALDH1A1L3MBTL1HTTMAPTTDP1
SCHEMBL28003051 0.81 BID (0.46) ALDH1A1MAPTTDP1TSHRGAA
SCHEMBL9820308 0.80 ALDH1A1 (0.46) ALDH1A1L3MBTL1MAPTTDP1TSHR
SCHEMBL9820277 0.78 ALDH1A1 (0.46) ALDH1A1MAPTTDP1TSHRKMT2A
SCHEMBL28190369 0.78 ALDH1A1 (0.40) ALDH1A1MAPTTDP1TSHRKMT2A
SCHEMBL2416170 0.77 TDP1 (0.50) ALDH1A1HTTMAPTTDP1TSHR
SCHEMBL994423 0.76 ALDH1A1 (0.49) ALDH1A1L3MBTL1MAPTTDP1TSHR
SCHEMBL874591 0.76 ALDH1A1 (0.56) ALDH1A1L3MBTL1HTTMAPTTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180009789-A1 SUBSTITUTED BENZIMIDAZOLIUM COMPOUNDS USEFUL IN THE TREATMENT OF RESPIRATORY DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-01-11 — — 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 (1 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-20180009789-A1 SUBSTITUTED BENZIMIDAZOLIUM COMPOUNDS USEFUL IN THE TREATMENT OF RESPIRATORY DISEASES F12, CKMT1A; CKMT1B, CHRM1 ALDH1A1 928/4885L3MBTL1 922/4885HTT 1916/4885

“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.

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