SCHEMBL21632110

SCHEMBL21632110

COc1ccc(F)cc1C(C#N)CC(=O)O

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.48
FFAR1 O14842 2/20 0.46
CTSA P10619 15/20 0.44
POLB P06746 1/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL21632015 0.84 L3MBTL1 (0.55) KMT2AFFAR1CTSAPOLBHTT
SCHEMBL21656176 0.84 KMT2A (0.41) KMT2APOLBHTTNPSR1L3MBTL1
SCHEMBL20535149 0.80 CTSA (0.50) FFAR1CTSA
SCHEMBL21708711 0.80 KMT2A (0.39) KMT2ACTSAPOLBHTTNPSR1
SCHEMBL20855727 0.79 CTSA (0.49) CTSA
SCHEMBL2691040 0.78 CTSA (0.48) CTSAPOLBHTTNPSR1L3MBTL1
SCHEMBL15248915 0.77 ALDH1A1 (0.44) KMT2AFFAR1CTSAHTTL3MBTL1
SCHEMBL9155153 0.76 ALDH1A1 (0.55) KMT2AFFAR1POLBHTT
Hydrochloric Acid SCHEMBL21632047 0.76 GAA (0.55) CTSAPOLBHTTNPSR1L3MBTL1
SCHEMBL21632346 0.76 KMT2A (0.48) KMT2AFFAR1CTSAPOLBHTT

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 921/4885FFAR1 781/4885CTSA 36/4885
US-11136296-B2 Substituted N-arylethyl-2-arylquinoline-4-carboxamides and use thereof AADAC, NAT1, EPX KMT2A 921/4885FFAR1 781/4885CTSA 36/4885

“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.