SCHEMBL457177

SCHEMBL457177

C=C(C(=O)OCC)C(O)c1cccnc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 2/20 0.52
SMN1; SMN2 Q16637 3/20 0.46
LMNA P02545 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
GAA P10253 3/20 0.45
MAPK1 P28482 2/20 0.42
CTDSP1 Q9GZU7 1/20 0.42
ALDH1A1 P00352 4/20 0.41
MAPT P10636 3/20 0.41
TP53 P04637 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
HPGD P15428 2/20 0.40
NPC1 O15118 1/20 0.40
TSHR P16473 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
KDM4E B2RXH2 1/20 0.39
CASP7 P55210 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
SCHEMBL10827291 0.84 SMN1; SMN2 (0.51) CASP1SMN1; SMN2LMNAL3MBTL1GAA
SCHEMBL462432 0.83 CASP1 (0.51) CASP1LMNAMAPK1CTDSP1ALDH1A1
SCHEMBL5245988 0.82 CASP1 (0.64) CASP1SMN1; SMN2LMNAGAAMAPK1
SCHEMBL27846966 0.82 NPC1 (0.37) SMN1; SMN2LMNAL3MBTL1MAPK1NPC1
SCHEMBL3103920 0.80 KMT2A (0.52) SMN1; SMN2LMNAGAAMAPK1ALDH1A1
SCHEMBL4496308 0.80 ALDH1A1 (0.55) CASP1SMN1; SMN2LMNAL3MBTL1GAA
SCHEMBL4507283 0.79 MEN1 (0.42) CASP1LMNAALDH1A1MAPTTP53
SCHEMBL3103728 0.79 MAPT (0.46) SMN1; SMN2LMNAGAAALDH1A1MAPT
SCHEMBL27847151 0.78 CYP17A1 (0.45) SMN1; SMN2GAAHPGDKDM4E
SCHEMBL3109020 0.78 TRPV1 (0.45) LMNAKMT2A

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 712/4885SMN1; SMN2 3681/4885LMNA 1912/4885

“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.