SCHEMBL22228985

SCHEMBL22228985

O=C(OCCl)OCC[N+](=O)[O-]

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
BLM P54132 1/20 0.37
HBB P68871 1/20 0.37
KMT2A Q03164 1/20 0.37
HIF1A Q16665 1/20 0.37
ALDH1A1 P00352 1/20 0.36
TDP1 Q9NUW8 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
SCHEMBL19582824 0.89 MEN1 (0.44) MEN1LMNABLMHBBKMT2A
SCHEMBL20921400 0.78 PTGS2 (0.34) ALDH1A1
SCHEMBL10703576 0.77 MEN1 (0.38) MEN1LMNABLMHBBKMT2A
SCHEMBL5446381 0.77 ALDH1A1 (0.38) ALDH1A1
SCHEMBL22517795 0.75 PTGS2 (0.40) ALDH1A1
SCHEMBL3922804 0.75 PTGS2 (0.43) ALDH1A1
SCHEMBL22518095 0.73 PTGS2 (0.33) HIF1AALDH1A1
SCHEMBL10403702 0.73
SCHEMBL10403701 0.73
SCHEMBL11300343 0.72 ALDH1A1 (0.46) MEN1LMNABLMHBBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3587403-B1 N-SUBSTITUTED IMIDAZOLE CARBOXYLATE COMPOUND, PREPARATION METHOD AND USE WEST CHINA HOSPITAL SICHUAN UNIV (CN) 2023-08-23 EP disclosed
US-11208385-B2 N-substituted imidazole carboxylate compound, preparation method and use WEST CHINA HOSPITAL, SICHUAN UNIVERSITY (CN) 2021-12-28 US disclosed
CN-107652239-B N-substituted imidazole carboxylic ester compound, preparation method and application 四川大学华西医院 2020-08-04 CN disclosed
US-20200231546-A1 N-SUBSTITUTED IMIDAZOLE CARBOXYLATE COMPOUND, PREPARATION METHOD AND USE WEST CHINA HOSPITAL, SICHUAN UNIVERSITY (CN) 2020-07-23 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-11208385-B2 N-substituted imidazole carboxylate compound, preparation method and use NR3C1, CYP2E1, CYP3A5 MEN1 2309/4885LMNA 2836/4885BLM 4696/4885
US-20200231546-A1 N-SUBSTITUTED IMIDAZOLE CARBOXYLATE COMPOUND, PREPARATION METHOD AND USE CHRM1, CYP2C18, CYP2E1 MEN1 2037/4885LMNA 1556/4885BLM 4487/4885

“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.