SCHEMBL2396078

SCHEMBL2396078

CN1C(=O)[C@@](O)(C(=O)NCC(=O)O)C(O)c2ccccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.39
HDAC4 P56524 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
RAD52 P43351 1/20 0.37
SRC P12931 1/20 0.36
MME P08473 1/20 0.35
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
LMNA P02545 2/20 0.34
GAA P10253 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ALDH1A1 P00352 4/20 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
SCHEMBL841729 0.70 MAPT (0.44) EGFRHDAC4HDAC7HDAC5RAD52
SCHEMBL13287659 0.62 MEN1 (0.45) EGFRHDAC4HDAC7HDAC5SRC
SCHEMBL8727194 0.62 CDC25A (0.63) EGFRHDAC4HDAC7HDAC5SRC
SCHEMBL3201165 0.61 ALDH1A1 (0.65) RAD52MEN1KMT2ALMNAGAA
SCHEMBL17974970 0.61 MEN1 (0.49) EGFRHDAC4HDAC7HDAC5SRC
SCHEMBL8811499 0.60 EGFR (0.78) EGFRHDAC4HDAC7HDAC5SRC
SCHEMBL8998975 0.60 EGFR (0.72) EGFRHDAC4HDAC7HDAC5SRC
SCHEMBL20094217 0.59 HDAC4 (0.55) EGFRHDAC4HDAC7HDAC5SRC
SCHEMBL31613807 0.59 HDAC4 (0.66) EGFRHDAC4HDAC7HDAC5SRC
SCHEMBL2989515 0.59 HDAC4 (0.66) EGFRHDAC4HDAC7HDAC5SRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1960363-B1 QUINOLONE BASED COMPOUNDS EXHIBITING PROLYL HYDROXYLASE INHIBITORY ACTIVITY, COMPOSITIONS AND USES THEREOF AMGEN INC (US) 2014-01-22 EP claimed
US-8017626-B2 Quinolone based compounds exhibiting, prolyl hydroxylase inhibitory activity, and compositions, and uses thereof AMGEN INC. (US) 2011-09-13 US disclosed
US-20100184763-A1 QUINOLONE BASED COMPOUNDS EXHIBITING, PROLYL HYDROXYLASE INHIBITORY ACTIVITY, AND COMPOSITIONS, AND USES THEREOF AMGEN INC. 2010-07-22 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 (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-20100184763-A1 QUINOLONE BASED COMPOUNDS EXHIBITING, PROLYL HYDROXYLASE INHIBITORY ACTIVITY, AND COMPOSITIONS, AND USES THEREOF EGLN3, HIF1AN, EGLN2 EGFR 4278/4885HDAC4 821/4885HDAC7 812/4885

“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.