SCHEMBL462432

SCHEMBL462432

C=C(C(=O)OCC)C(O)c1ccc(C)nc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 1/20 0.51
MAPT P10636 6/20 0.38
ALDH1A1 P00352 1/20 0.38
P2RX7 Q99572 3/20 0.38
HDAC1 Q13547 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
KMT2A Q03164 6/20 0.36
MEN1 O00255 5/20 0.36
HPGD P15428 1/20 0.35
KDM4E B2RXH2 1/20 0.35
CTDSP1 Q9GZU7 1/20 0.35
CYP1A2 P05177 3/20 0.35
CYP2C9 P11712 2/20 0.35
MAPK1 P28482 2/20 0.35
CYP2C19 P33261 2/20 0.35
HIF1A Q16665 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
NPSR1 Q6W5P4 3/20 0.34
LMNA P02545 2/20 0.34

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
SCHEMBL9107644 0.87 HDAC1 (0.41) CASP1MAPTP2RX7HDAC1HDAC6
SCHEMBL3633960 0.84 CYP1A2 (0.40) CASP1MAPTALDH1A1P2RX7HDAC1
SCHEMBL457177 0.83 CASP1 (0.52) CASP1MAPTALDH1A1KMT2AMEN1
SCHEMBL15918134 0.81 CASP1 (0.56) CASP1MAPTALDH1A1KMT2AMEN1
SCHEMBL15917648 0.80 CASP1 (0.58) CASP1MAPTALDH1A1KMT2AMEN1
SCHEMBL15917982 0.79 CASP1 (0.61) CASP1MAPTALDH1A1KMT2AMEN1
SCHEMBL15917817 0.79 CASP1 (0.54) CASP1MAPTALDH1A1KMT2AMEN1
SCHEMBL15918524 0.79 CASP1 (0.54) CASP1MAPTALDH1A1KMT2AMEN1
SCHEMBL15918195 0.79 CASP1 (0.54) CASP1MAPTALDH1A1KMT2AMEN1
SCHEMBL5245988 0.78 CASP1 (0.64) CASP1MAPTALDH1A1KMT2AMEN1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2614061-B1 QUINOLINE AND QUINOXALINE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA SA (BE) 2015-05-20 EP disclosed
US-9029392-B2 Quinoline derivatives as kinase inhibitors UCB PHARMA S.A. (BE) 2015-05-12 US disclosed
US-20130296338-A1 Quinoline and Quinoxaline Derivatives as Kinase Inhibitors UCB PHARMA S.A. (BE) 2013-11-07 US disclosed
EP-2614061-A1 QUINOLINE AND QUINOXALINE DERIVATIVES AS KINASE INHIBITORS UCB Pharma, S.A. (BE) 2013-07-17 EP disclosed
WO-2012032334-A1 QUINOLINE AND QUINOXALINE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA S.A. (BE) 2012-03-15 WO 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 (1 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-20130296338-A1 Quinoline and Quinoxaline Derivatives as Kinase Inhibitors MAP3K13, MAP4K3, MAP3K3 CASP1 712/4885MAPT 2764/4885ALDH1A1 4093/4885

“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.