SCHEMBL21632115

SCHEMBL21632115

N#CC(CC(=O)O)c1c(Cl)cccc1Cl

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.43
KMT2A Q03164 3/20 0.40
FFAR1 O14842 8/20 0.39
MGAM O43451 1/20 0.38
GAA P10253 1/20 0.38
SI P14410 1/20 0.38
MGAM2 Q2M2H8 1/20 0.38
MEN1 O00255 1/20 0.38
KDM4E B2RXH2 1/20 0.36
CACNA2D1 P54289 1/20 0.36
CACNA1B Q00975 1/20 0.36
CACNB1 Q02641 1/20 0.36
MRGPRX4 Q96LA9 1/20 0.35

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
SCHEMBL21631984 0.89 KDM4E (0.44) AKR1B1KMT2AFFAR1GAAKDM4E
SCHEMBL21956246 0.83 AKR1B1 (0.41) AKR1B1KMT2AFFAR1MGAMGAA
SCHEMBL21632173 0.81 MEN1 (0.43) KMT2AFFAR1MEN1
SCHEMBL25324001 0.79 KMT2A (0.41) KMT2AFFAR1KDM4E
SCHEMBL21656577 0.77 CTSL (0.36) KMT2AGAA
SCHEMBL6074933 0.76 AKR1B1 (0.50) AKR1B1KMT2AMEN1CACNA2D1CACNA1B
SCHEMBL21631961 0.76 KMT2A (0.51) KMT2AFFAR1MEN1CACNA2D1CACNA1B
SCHEMBL11159728 0.75 CACNA2D1 (0.40) AKR1B1KMT2AMEN1CACNA2D1CACNA1B
SCHEMBL7353921 0.75 ALDH1A1 (0.38) AKR1B1KMT2AMEN1
SCHEMBL11156376 0.75 CACNA2D1 (0.40) AKR1B1KMT2AMGAMGAASI

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 AKR1B1 3165/4885KMT2A 921/4885FFAR1 781/4885
US-11136296-B2 Substituted N-arylethyl-2-arylquinoline-4-carboxamides and use thereof AADAC, NAT1, EPX AKR1B1 3165/4885KMT2A 921/4885FFAR1 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.