SCHEMBL20061858

SCHEMBL20061858

CP(C)(=O)CN(CCO)Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.49
ALDH1A1 P00352 3/20 0.48
LMNA P02545 2/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
ACHE P22303 2/20 0.45
HSD17B10 Q99714 2/20 0.44
KDM4E B2RXH2 1/20 0.44
TSHR P16473 3/20 0.43
HPGD P15428 1/20 0.42
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
ALOX15 P16050 1/20 0.41
CYP2C19 P33261 1/20 0.41
SCN1A P35498 1/20 0.41
HIF1A Q16665 1/20 0.41
SCN2A Q99250 1/20 0.41
SCN3A Q9NY46 1/20 0.41
HDAC1 Q13547 2/20 0.40
APP P05067 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
SCHEMBL7192594 0.85 HTT (0.50) HTTALDH1A1LMNAMEN1KMT2A
SCHEMBL9417718 0.80 TSHR (0.45) HTTALDH1A1LMNAMEN1KMT2A
SCHEMBL122771 0.80 HTT (0.68) HTTALDH1A1LMNAMEN1KMT2A
SCHEMBL79747 0.80 HTT (0.62) HTTALDH1A1LMNAMEN1KMT2A
Acetic Acid SCHEMBL237341 0.79 HTT (0.58) HTTALDH1A1LMNAMEN1KMT2A
Alcohol SCHEMBL2794145 0.78 TSHR (0.58) HTTALDH1A1LMNAMEN1KMT2A
SCHEMBL9417717 0.78 ALDH1A1 (0.44) HTTALDH1A1LMNAMEN1KMT2A
Bromide SCHEMBL15391224 0.78 HTT (0.61) HTTALDH1A1LMNAMEN1KMT2A
Hydrochloric Acid SCHEMBL2313460 0.78 HTT (0.61) HTTALDH1A1LMNAMEN1KMT2A
SCHEMBL9320386 0.78 HTT (0.66) HTTALDH1A1LMNAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180105512-A1 SUBSTITUTED BENZIMIDAZOLIUM COMPOUNDS USEFUL IN THE TREATMENT OF RESPIRATORY DISEASES BOEHRINGER INGELHEIM INT (DE) 2018-04-19 US disclosed
US-20180105512-A1 SUBSTITUTED BENZIMIDAZOLIUM COMPOUNDS USEFUL IN THE TREATMENT OF RESPIRATORY DISEASES BOEHRINGER INGELHEIM INT (DE) 2018-04-19 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-20180105512-A1 SUBSTITUTED BENZIMIDAZOLIUM COMPOUNDS USEFUL IN THE TREATMENT OF RESPIRATORY DISEASES TPSD1, TPSAB1, TMSB4X HTT 3210/4885ALDH1A1 2197/4885LMNA 284/4885

“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.