SCHEMBL20061840

SCHEMBL20061840

CCN(CC)CC(=O)NCCOC(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.40
ALDH1A1 P00352 5/20 0.39
LMNA P02545 5/20 0.38
KMT2A Q03164 3/20 0.38
GAA P10253 2/20 0.37
TSHR P16473 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MAPT P10636 3/20 0.35
CYP3A4 P08684 1/20 0.35
MAPK1 P28482 1/20 0.35
MC4R P32245 1/20 0.35
SCN4A P35499 1/20 0.35
MC3R P41968 1/20 0.35
HTR3A P46098 1/20 0.35
SCN5A Q14524 1/20 0.35
SCN9A Q15858 1/20 0.35
SCN3A Q9NY46 1/20 0.35
POLB P06746 1/20 0.35
ALOX15 P16050 1/20 0.35
HPGD P15428 2/20 0.34

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
SCHEMBL24024210 0.81 TDP1 (0.46) LMNAKMT2ATSHRALOX15BLM
SCHEMBL24024224 0.81 TDP1 (0.46) LMNAKMT2ATSHRALOX15BLM
SCHEMBL25623223 0.80 TSHR (0.44) ALDH1A1KMT2AGAATSHRL3MBTL1
SCHEMBL10075276 0.80 KMT2A (0.52) EPHX2ALDH1A1LMNAKMT2AGAA
SCHEMBL25725914 0.77 CASP2 (0.50) EPHX2ALDH1A1LMNAKMT2AGAA
SCHEMBL22302277 0.76 KMT2A (0.42) EPHX2ALDH1A1LMNAKMT2ATSHR
SCHEMBL25063765 0.76 EPHX2 (0.45) EPHX2ALDH1A1LMNAKMT2AGAA
SCHEMBL8957018 0.75 ALDH1A1 (0.36) EPHX2ALDH1A1LMNAKMT2AGAA
SCHEMBL25089987 0.74 ALDH1A1 (0.45) ALDH1A1LMNAKMT2AGAATSHR
SCHEMBL24120699 0.74 TP53 (0.47) EPHX2ALDH1A1LMNAKMT2ATSHR

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 EPHX2 4331/4885ALDH1A1 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.