SCHEMBL493438

SCHEMBL493438

COc1ccc(-c2noc(C(=O)NCC(=O)O)n2)cc1OC

nearest known ligand 0.73

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.67
POLB P06746 1/20 0.67
KDM4E B2RXH2 1/20 0.65
MAPT P10636 1/20 0.65
HTT P42858 1/20 0.61

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
SCHEMBL493923 0.88 KMT2A (0.65) KMT2APOLBKDM4EMAPTHTT
SCHEMBL493835 0.82 HTT (0.69) KMT2APOLBKDM4EMAPTHTT
SCHEMBL493192 0.81 NPC1 (0.56) KMT2APOLBKDM4EMAPTHTT
SCHEMBL493052 0.79 KDM4E (0.73) KMT2AKDM4EMAPT
SCHEMBL494360 0.79 TSHR (0.53) KMT2AKDM4EMAPT
SCHEMBL493603 0.77 KMT2A (0.44) KMT2APOLBKDM4EMAPT
SCHEMBL494155 0.77 SMN1; SMN2 (0.69) KMT2AKDM4EMAPT
SCHEMBL8178988 0.76 PDE4A (0.71) KMT2APOLBKDM4EMAPTHTT
SCHEMBL493401 0.74 ALDH1A1 (0.42) KMT2APOLB
SCHEMBL20116932 0.74 KMT2A (0.71) KMT2APOLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8106055-B2 Substituted amide compounds GRUENENTHAL GMBH (DE) 2012-01-31 US disclosed
US-20080306084-A1 Substituted Amide Compounds GRUENENTHAL GMBH (DE) 2008-12-11 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-20080306084-A1 Substituted Amide Compounds OPRK1, NAA50, ACMSD KMT2A 1749/4885POLB 2120/4885KDM4E 2178/4885

“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.