SCHEMBL21632040

SCHEMBL21632040

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
LMNA P02545 2/20 0.43
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
KDM4E B2RXH2 1/20 0.41
PKM P14618 1/20 0.41
CYP2C19 P33261 1/20 0.41
HIF1A Q16665 1/20 0.41
ALDH1A1 P00352 1/20 0.41
SLC13A5 Q86YT5 1/20 0.40
GAA P10253 1/20 0.40
ATM Q13315 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
RBP4 P02753 2/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 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
SCHEMBL21631931 0.85 NR3C2 (0.42) RBP4PTGFR
SCHEMBL21656175 0.84 MTNR1A (0.41) POLBSMN1; SMN2LMNAKMT2AMEN1
SCHEMBL21632105 0.83 NR3C1 (0.46)
SCHEMBL6892090 0.81 POLB (0.50) POLBSMN1; SMN2LMNAKMT2AMEN1
SCHEMBL30040484 0.81 POLB (0.50) POLBSMN1; SMN2LMNAKMT2AMEN1
SCHEMBL21631919 0.80 CYP2C19 (0.42) KMT2ACYP2C19HIF1AALDH1A1GAA
SCHEMBL21632381 0.79 PTGFR (0.40) POLBSMN1; SMN2LMNAKMT2AMEN1
SCHEMBL21632076 0.78 KMT2A (0.44) POLBSMN1; SMN2LMNAKMT2AMEN1
SCHEMBL30039006 0.76 SMN1; SMN2 (0.49) POLBSMN1; SMN2LMNAKMT2AMEN1
SCHEMBL21632008 0.76 CYP2C19 (0.49) POLBSMN1; SMN2LMNAKMT2AMEN1

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 POLB 3807/4885SMN1; SMN2 1799/4885LMNA 694/4885
US-11136296-B2 Substituted N-arylethyl-2-arylquinoline-4-carboxamides and use thereof AADAC, NAT1, EPX POLB 3807/4885SMN1; SMN2 1799/4885LMNA 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.