SCHEMBL21632076

SCHEMBL21632076

COc1ccccc1C(C)(C#N)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.44
MEN1 O00255 2/20 0.44
LMNA P02545 3/20 0.43
KDM4E B2RXH2 2/20 0.43
PKM P14618 1/20 0.43
ALDH1A1 P00352 2/20 0.43
GAA P10253 2/20 0.41
ATM Q13315 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA7 P43166 2/20 0.41
CA9 Q16790 2/20 0.41
CA14 Q9ULX7 2/20 0.41
POLB P06746 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HTR6 P50406 1/20 0.40
CTSD P07339 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL21656569 0.83 GAA (0.39) KMT2AMEN1LMNAKDM4EPKM
SCHEMBL9009606 0.81 NPSR1 (0.44) KMT2AMEN1LMNAKDM4EGAA
SCHEMBL21632040 0.78 POLB (0.45) KMT2AMEN1LMNAKDM4EPKM
SCHEMBL17102000 0.78 KMT2A (0.49) KMT2AMEN1LMNAKDM4EALDH1A1
SCHEMBL6404528 0.76 KMT2A (0.51) KMT2AMEN1LMNAKDM4EALDH1A1
SCHEMBL420634 0.76 KMT2A (0.51) KMT2AMEN1LMNAKDM4EALDH1A1
SCHEMBL6558441 0.75 CA1 (0.46) KMT2ALMNAKDM4EPKMALDH1A1
SCHEMBL31347528 0.75 CA1 (0.46) KMT2ALMNAKDM4EPKMALDH1A1
SCHEMBL11023514 0.75 KMT2A (0.47) KMT2AMEN1LMNAALDH1A1GAA
SCHEMBL9513525 0.73 MAPT (0.45) KMT2AALDH1A1SMN1; SMN2

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 921/4885MEN1 4338/4885LMNA 694/4885
US-11136296-B2 Substituted N-arylethyl-2-arylquinoline-4-carboxamides and use thereof AADAC, NAT1, EPX KMT2A 921/4885MEN1 4338/4885LMNA 694/4885

“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.