SCHEMBL21632008

SCHEMBL21632008

COc1ccccc1C(C)(CN)CC(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.49
HIF1A Q16665 1/20 0.49
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
POLB P06746 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
PTGFR P43088 3/20 0.44
LMNA P02545 1/20 0.43
ALDH1A1 P00352 1/20 0.41
CTSD P07339 1/20 0.41
GAA P10253 2/20 0.40
SLC13A5 Q86YT5 1/20 0.40
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
CA14 Q9ULX7 1/20 0.39
NPC1 O15118 1/20 0.38
ATM Q13315 1/20 0.38

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
SCHEMBL21656321 0.84 MEN1 (0.42) CYP2C19HIF1AKMT2AMEN1POLB
Hydrochloric Acid SCHEMBL21632249 0.82 PTGFR (0.46) PTGFR
Hydrochloric Acid SCHEMBL21632334 0.82 PTGFR (0.46) CYP2C19HIF1APTGFR
SCHEMBL30040484 0.81 POLB (0.50) CYP2C19HIF1AKMT2AMEN1POLB
SCHEMBL6892090 0.81 POLB (0.50) CYP2C19HIF1AKMT2AMEN1POLB
SCHEMBL21631996 0.80 CYP2C19 (0.53) CYP2C19HIF1AKMT2AMEN1PTGFR
SCHEMBL21631951 0.78 PTGFR (0.46) CYP2C19HIF1AKMT2AMEN1POLB
SCHEMBL21632350 0.78 GAA (0.44) KMT2AMEN1POLBSMN1; SMN2PTGFR
SCHEMBL21631955 0.78 CYP2C19 (0.51) CYP2C19HIF1APTGFRALDH1A1GAA
SCHEMBL30039006 0.76 SMN1; SMN2 (0.49) CYP2C19HIF1AKMT2AMEN1POLB

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 CYP2C19 2854/4885HIF1A 573/4885KMT2A 921/4885
US-11136296-B2 Substituted N-arylethyl-2-arylquinoline-4-carboxamides and use thereof AADAC, NAT1, EPX CYP2C19 2854/4885HIF1A 573/4885KMT2A 921/4885

“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.