SCHEMBL21632017

SCHEMBL21632017

COc1ccccc1C(CN)CCC(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.54
HTT P42858 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
LMNA P02545 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.45
KMT2A Q03164 1/20 0.44
PTGFR P43088 3/20 0.44
GAA P10253 1/20 0.44
GABBR2 O75899 1/20 0.42
GABBR1 Q9UBS5 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
CTSD P07339 1/20 0.41
MMP2 P08253 1/20 0.40
MMP9 P14780 1/20 0.40

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
SCHEMBL6927131 0.91 POLB (0.59) POLBHTTNPSR1L3MBTL1LMNA
SCHEMBL21632146 0.84 POLB (0.60) POLBHTTNPSR1L3MBTL1LMNA
SCHEMBL21632005 0.84 PTGFR (0.46) POLBHTTNPSR1L3MBTL1SMN1; SMN2
SCHEMBL21632009 0.83 PTGFR (0.46) POLBHTTNPSR1L3MBTL1PTGFR
SCHEMBL21656122 0.82 L3MBTL1 (0.45) POLBHTTNPSR1L3MBTL1LMNA
SCHEMBL21632348 0.81 GABBR2 (0.45) PTGFRGABBR2GABBR1
SCHEMBL11078734 0.80 POLB (0.51) POLBHTTNPSR1L3MBTL1GAA
SCHEMBL20535171 0.80 LMNA (0.54) POLBHTTNPSR1L3MBTL1LMNA
SCHEMBL14880260 0.78 LMNA (0.53) POLBHTTNPSR1L3MBTL1LMNA
SCHEMBL28936427 0.78 MMP2 (0.56) POLBHTTNPSR1L3MBTL1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11149018-B2 Substituted N-arylethyl-2-aminoquinoline-4-carboxamides and use thereof BAYER AKTIENGESELLSCHAFT (DE) 2021-10-19 US disclosed
US-11136296-B2 Substituted N-arylethyl-2-arylquinoline-4-carboxamides and use thereof BAYER AKTIENGESELLSCHAFT (DE) 2021-10-05 US disclosed
US-20200157073-A1 SUBSTITUTED N-ARYLETHYL-2-AMINOQUINOLINE-4-CARBOXAMIDES AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2020-05-21 US disclosed
EP-3609870-A1 SUBSTITUTED N-ARYLETHYL-2-AMINOQUINOLINE-4-CARBOXAMIDES AND USE THEREOF Bayer Aktiengesellschaft (DE) 2020-02-19 EP 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 (4 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 POLB 3807/4885HTT 2899/4885NPSR1 2090/4885
US-20200157073-A1 SUBSTITUTED N-ARYLETHYL-2-AMINOQUINOLINE-4-CARBOXAMIDES AND USE THEREOF AADAC, ARG2, GOT2 POLB 3803/4885HTT 3391/4885NPSR1 2181/4885
US-11149018-B2 Substituted N-arylethyl-2-aminoquinoline-4-carboxamides and use thereof AADAC, ARG2, GOT2 POLB 3803/4885HTT 3391/4885NPSR1 2181/4885
US-11136296-B2 Substituted N-arylethyl-2-arylquinoline-4-carboxamides and use thereof AADAC, NAT1, EPX POLB 3807/4885HTT 2899/4885NPSR1 2090/4885

“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.