SCHEMBL21632010

SCHEMBL21632010

N#CC(CCC(=O)O)c1c(F)cccc1OC(F)F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.39
POLB P06746 1/20 0.37
PPARG P37231 1/20 0.34
PPARA Q07869 1/20 0.34
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.34
PDE4A P27815 2/20 0.33
PDE4B Q07343 2/20 0.33
PDE4C Q08493 2/20 0.33
PDE4D Q08499 2/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CXCL8 P10145 1/20 0.33
ROCK2 O75116 1/20 0.32
ROCK1 Q13464 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32
ALDH1A1 P00352 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
KCNH2 Q12809 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
SCHEMBL21632375 0.85 CES2 (0.38) KMT2ASMN1; SMN2FFAR4ALDH1A1
SCHEMBL21656647 0.84 KMT2A (0.34) KMT2APOLBKDM4EGAA
SCHEMBL21708609 0.82 KMT2A (0.34) KMT2APOLBKDM4EGAA
SCHEMBL21631921 0.82 PTGFR (0.39) KMT2APOLBKDM4EGAAPDE4A
SCHEMBL20534638 0.81 KMT2A (0.41) KMT2APOLBPPARGPPARAGAA
SCHEMBL21632051 0.79 ALDH1A1 (0.42) KMT2AKDM4EGAASMN1; SMN2ALDH1A1
SCHEMBL21631981 0.79 KMT2A (0.39) KMT2APOLBPPARGPPARAPDE4A
SCHEMBL21632087 0.77 PTGFR (0.39) SMN1; SMN2FFAR4
SCHEMBL21632189 0.74 CCR1 (0.43) KMT2AGAAFFAR4ALDH1A1
SCHEMBL21632035 0.73 CCR1 (0.36) KMT2AFFAR4ALDH1A1

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
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
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 KMT2A 921/4885POLB 3807/4885PPARG 27/4885
US-20200157073-A1 SUBSTITUTED N-ARYLETHYL-2-AMINOQUINOLINE-4-CARBOXAMIDES AND USE THEREOF AADAC, ARG2, GOT2 KMT2A 650/4885POLB 3803/4885PPARG 56/4885
US-11149018-B2 Substituted N-arylethyl-2-aminoquinoline-4-carboxamides and use thereof AADAC, ARG2, GOT2 KMT2A 650/4885POLB 3803/4885PPARG 56/4885
US-11136296-B2 Substituted N-arylethyl-2-arylquinoline-4-carboxamides and use thereof AADAC, NAT1, EPX KMT2A 921/4885POLB 3807/4885PPARG 27/4885

“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.