SCHEMBL21656569

SCHEMBL21656569

COc1ccccc1C(C)(C#N)C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.39
KMT2A Q03164 4/20 0.38
PKM P14618 2/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
ALDH1A1 P00352 1/20 0.37
CTSD P07339 1/20 0.36
PLCG1 P19174 1/20 0.36
MEN1 O00255 3/20 0.36
ITGA4 P13612 1/20 0.36
ITGB7 P26010 1/20 0.36
ATM Q13315 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
DRD2 P14416 1/20 0.35
CASR P41180 1/20 0.35
TSHR P16473 1/20 0.35
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 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
SCHEMBL21632076 0.83 KMT2A (0.44) GAAKMT2APKMKDM4ELMNA
SCHEMBL9009606 0.83 NPSR1 (0.44) GAAKMT2AKDM4ELMNACTSD
SCHEMBL21656175 0.77 MTNR1A (0.41) GAAKMT2APKMKDM4ELMNA
SCHEMBL21708762 0.76 KMT2A (0.37) GAAKMT2APKMKDM4ELMNA
SCHEMBL21656314 0.73 GAA (0.42) GAAKMT2ALMNAALDH1A1CTSD
SCHEMBL4883362 0.73 POLB (0.41) GAAKMT2ALMNAALDH1A1CTSD
SCHEMBL11202456 0.72 MAPT (0.45) GAAKMT2AALDH1A1CTSDMEN1
SCHEMBL6558441 0.72 CA1 (0.46) GAAKMT2APKMKDM4ELMNA
SCHEMBL31347528 0.72 CA1 (0.46) GAAKMT2APKMKDM4ELMNA
SCHEMBL21632040 0.72 POLB (0.45) GAAKMT2APKMKDM4ELMNA

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-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

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 GAA 672/4885KMT2A 921/4885PKM 1645/4885
US-11136296-B2 Substituted N-arylethyl-2-arylquinoline-4-carboxamides and use thereof AADAC, NAT1, EPX GAA 672/4885KMT2A 921/4885PKM 1645/4885

“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.