SCHEMBL5159792

SCHEMBL5159792

O=C(CC(=O)N1CCCC1)c1cn[nH]c1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
GFER P55789 1/20 0.37
RAB9A P51151 3/20 0.37
ALDH1A1 P00352 2/20 0.37
PROKR1 Q8TCW9 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TSHR P16473 1/20 0.36
ACKR3 P25106 1/20 0.35
ATM Q13315 1/20 0.35

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
SCHEMBL7096878 0.98 L3MBTL1 (0.39) GAAMEN1KMT2AL3MBTL1GFER
SCHEMBL3310693 0.78 HPGD (0.52) MEN1KMT2AL3MBTL1ALDH1A1PROKR1
SCHEMBL17276467 0.77 HPGD (0.55) MEN1KMT2AALDH1A1PROKR1TSHR
SCHEMBL5163185 0.76 VNN1 (0.47) GAAL3MBTL1RAB9AALDH1A1ATM
SCHEMBL21259942 0.75 PROKR1 (0.47) MEN1KMT2AL3MBTL1ALDH1A1PROKR1
SCHEMBL20797184 0.74 ALDH1A1 (0.38) MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL5160072 0.74 VNN1 (0.49) GAAL3MBTL1RAB9AALDH1A1SMN1; SMN2
SCHEMBL5158396 0.73 NPC1 (0.38) GAAKMT2ARAB9AALDH1A1SMN1; SMN2
SCHEMBL5178020 0.73 NOS2 (0.38) ALDH1A1
SCHEMBL5158586 0.72 PLOD2 (0.53) L3MBTL1RAB9AALDH1A1SMN1; SMN2TSHR

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 GAA 1272/4885MEN1 4424/4885KMT2A 1666/4885

“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.