SCHEMBL5160836

SCHEMBL5160836

CNC(=O)CC(=O)c1cc[nH]n1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.35
POLB P06746 3/20 0.34
LMNA P02545 1/20 0.33
HSP90AB1 P08238 1/20 0.33
RECQL P46063 1/20 0.32
KDM4E B2RXH2 4/20 0.32
PKM P14618 1/20 0.32
BCHE P06276 1/20 0.32
ACHE P22303 1/20 0.32
ALDH1A1 P00352 4/20 0.31
GAA P10253 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
ATM Q13315 1/20 0.31
PDE3B Q13370 1/20 0.31
PDE3A Q14432 1/20 0.31
P2RY12 Q9H244 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL5160608 0.83 RAB9A (0.39) KMT2APOLBLMNAKDM4EPKM
SCHEMBL5160479 0.80 KMT2A (0.37) KMT2APOLBLMNAKDM4EALDH1A1
SCHEMBL5161547 0.78 MEN1 (0.31) KMT2AKDM4EGAA
SCHEMBL5161590 0.77 SMN1; SMN2 (0.35) POLBKDM4EALDH1A1GAASMN1; SMN2
SCHEMBL169064 0.77
SCHEMBL12094843 0.77
SCHEMBL27285855 0.77 ALDH1A1 (0.46) KMT2ALMNAKDM4EALDH1A1SMN1; SMN2
SCHEMBL5162827 0.76 NPC1 (0.39) KMT2APOLBLMNAKDM4EBCHE
SCHEMBL5159783 0.76 GAA (0.45) KMT2ALMNAKDM4EPKMALDH1A1
SCHEMBL6526608 0.75

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 KMT2A 1666/4885POLB 2040/4885LMNA 3165/4885

“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.