SCHEMBL21632028

SCHEMBL21632028

CC(C(CC(=O)OC(C)(C)C)c1ccccc1Cl)[N+](=O)[O-]

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 2/20 0.35
ADRB1 P08588 2/20 0.35
CYP2D6 P10635 1/20 0.35
NFKB1 P19838 1/20 0.35
HIF1A Q16665 1/20 0.35
BLM P54132 1/20 0.34
CASP1 P29466 1/20 0.34
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
NR1D1 P20393 4/20 0.33
GLS O94925 2/20 0.33
NR1H3 Q13133 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HTT P42858 1/20 0.33
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32

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
SCHEMBL21656366 0.82 ADRB2 (0.38) ADRB2ADRB1CYP2D6NFKB1HIF1A
SCHEMBL21632073 0.82 CYP1A2 (0.47) LMNA
SCHEMBL21708797 0.78 CASP1 (0.33) CYP2D6CASP1ALDH1A1LMNAGLS
SCHEMBL8770906 0.76 ADRB2 (0.51) ADRB2ADRB1CYP2D6NFKB1HIF1A
SCHEMBL21656316 0.73 NISCH (0.41) ADRB2ADRB1CYP2D6NFKB1HIF1A
SCHEMBL21656172 0.72 PRSS1 (0.39) ADRB2ADRB1CYP2D6NFKB1HIF1A
SCHEMBL7441492 0.72 MAPT (0.40) LMNAHTT
SCHEMBL26640409 0.71 CYP2D6 (0.41) CYP2D6CA2
SCHEMBL21708788 0.69 ALDH1A1 (0.42) ADRB2ADRB1CYP2D6NFKB1HIF1A
SCHEMBL8770920 0.69 MEN1 (0.42) ADRB2ADRB1CYP2D6NFKB1HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11136296-B2 Substituted N-arylethyl-2-arylquinoline-4-carboxamides and use thereof BAYER AKTIENGESELLSCHAFT (DE) 2021-10-05 US disclosed
US-20200031775-A1 SUBSTITUTED N-ARYLETHYL-2-ARYLQUINOLINE-4-CARBOXAMIDES AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2020-01-30 US disclosed
CN-110730776-A Substituted N-arylethyl-2-arylquinoline-4-carboxamides and their use 拜耳股份公司 2020-01-24 CN 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-20200031775-A1 SUBSTITUTED N-ARYLETHYL-2-ARYLQUINOLINE-4-CARBOXAMIDES AND USE THEREOF AADAC, NAT1, EPX ADRB2 871/4885ADRB1 1289/4885CYP2D6 1640/4885
US-11136296-B2 Substituted N-arylethyl-2-arylquinoline-4-carboxamides and use thereof AADAC, NAT1, EPX ADRB2 871/4885ADRB1 1289/4885CYP2D6 1640/4885

“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.