SCHEMBL5160768

SCHEMBL5160768

NC(=O)CC(=O)c1cc2ccccc2cn1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 1/20 0.50
PLAU P00749 1/20 0.44
PDPK1 O15530 1/20 0.43
HDAC3 O15379 2/20 0.43
HDAC1 Q13547 2/20 0.43
USP30 Q70CQ3 1/20 0.43
HDAC2 Q92769 1/20 0.41
EGFR P00533 2/20 0.40
DPP4 P27487 1/20 0.40
HTR1A P08908 2/20 0.40
HTR2A P28223 2/20 0.40
DRD3 P35462 2/20 0.40
MITF O75030 2/20 0.40
GAA P10253 2/20 0.40
MAPT P10636 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
NCOA1 Q15788 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
NCOA3 Q9Y6Q9 1/20 0.40

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
SCHEMBL7140246 0.85 EGLN1 (0.58) EGLN1PDPK1HDAC3HDAC1USP30
SCHEMBL213288 0.83 EGLN1 (0.60) EGLN1PDPK1HDAC3HDAC1USP30
SCHEMBL5163433 0.81 EGLN1 (0.48) EGLN1HDAC3HDAC1USP30HDAC2
SCHEMBL5162848 0.81 EGLN1 (0.51) EGLN1HDAC3HDAC1USP30HDAC2
SCHEMBL678365 0.80 LCK (0.53) EGLN1PLAUPDPK1HDAC3HDAC1
SCHEMBL29745031 0.80 LCK (0.53) EGLN1PLAUPDPK1HDAC3HDAC1
SCHEMBL5160560 0.80 EGLN1 (0.47) EGLN1HDAC3HDAC1USP30HDAC2
SCHEMBL20646994 0.79 EGLN1 (0.49) EGLN1PDPK1HDAC3HDAC1USP30
SCHEMBL6169104 0.79 PTPN1 (0.51) EGLN1PLAUPDPK1HDAC3HDAC1
Hydrochloric Acid SCHEMBL19584451 0.79 LCK (0.51) EGLN1PLAUPDPK1HDAC3HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8293899-B2 Ketone transfer hydrogenation of stereoisomerically enriched 3-heteroaryl-3-oxocarboxylic esters by reducing 3-heteroaryl-3-hydroxycarboxylic esters in the presence of a ruthenium-containing catalyst, an amine and formic acid and/or formates LANXESS DEUTSCHLAND GMBH (DE) 2012-10-23 US disclosed
EP-1340746-B1 Process for the reduction of 3-heteroaryl-3-oxo-propanoic acid derivatives SALTIGO GMBH (DE) 2007-02-28 EP disclosed
US-20030225274-A1 Process for reducing 3-heteroaryl-3-oxopropionic acid derivatives LANXESS DEUTSCHLAND GMBH (DE) 2003-12-04 US disclosed
EP-1340746-A1 Process for the reduction of 3-heteroaryl-3-oxo-propanoic acid derivatives BAYER AG (DE) 2003-09-03 EP 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-20030225274-A1 Process for reducing 3-heteroaryl-3-oxopropionic acid derivatives GRHPR, HPD, HAAO EGLN1 3869/4885PLAU 889/4885PDPK1 1933/4885

“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.