SCHEMBL21656331

SCHEMBL21656331

COc1cccc(C(C#N)CC(=O)OC(C)(C)C)c1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.47
FFAR1 O14842 2/20 0.40
MTNR1A P48039 3/20 0.40
MTNR1B P49286 3/20 0.40
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40
AOC3 Q16853 2/20 0.39
PARP1 P09874 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
CACNA1B Q00975 1/20 0.38
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL21656333 0.85 KMT2A (0.39) KMT2AL3MBTL1
SCHEMBL21632014 0.84 KMT2A (0.61) KMT2AL3MBTL1FFAR1MTNR1AMTNR1B
SCHEMBL1369506 0.84 KMT2A (0.55) KMT2AL3MBTL1FFAR1MTNR1AMTNR1B
SCHEMBL21656570 0.84 CTSL (0.43) KMT2AFFAR1
SCHEMBL14996085 0.83 CTSS (0.48) KMT2AL3MBTL1TDP1
SCHEMBL8770863 0.82 L3MBTL1 (0.66) L3MBTL1MTNR1AMTNR1BCES2CES1
SCHEMBL2885762 0.81 MTNR1A (0.54) L3MBTL1FFAR1MTNR1AMTNR1BTDP1
SCHEMBL31326036 0.80 KMT2A (0.70) KMT2AL3MBTL1MTNR1AMTNR1BCES2
SCHEMBL2882501 0.79 MTNR1A (0.49) KMT2AL3MBTL1FFAR1MTNR1AMTNR1B
SCHEMBL21656590 0.79 L3MBTL1 (0.51) L3MBTL1FFAR1MTNR1AMTNR1BAOC3

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 KMT2A 921/4885L3MBTL1 3686/4885FFAR1 781/4885
US-11136296-B2 Substituted N-arylethyl-2-arylquinoline-4-carboxamides and use thereof AADAC, NAT1, EPX KMT2A 921/4885L3MBTL1 3686/4885FFAR1 781/4885

“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.