SCHEMBL5114084

SCHEMBL5114084

NC(=O)C[CH]c1ccc[n+]([O-])c1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
GPR84 Q9NQS5 4/20 0.36
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
APOBEC3A P31941 1/20 0.35
APOBEC3G Q9HC16 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
LMNA P02545 1/20 0.34
NPSR1 Q6W5P4 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
NNMT P40261 1/20 0.32

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
SCHEMBL5113382 0.79 MEN1 (0.48) MEN1KMT2AGPR84L3MBTL1LMNA
SCHEMBL5103982 0.79 KMT2A (0.34) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL176807 0.74 PAM (0.47) KDM4EALDH1A1HPGDL3MBTL1LMNA
SCHEMBL4071509 0.74
SCHEMBL2675960 0.69 CYP1A2 (0.51) MEN1KMT2AKDM4EALDH1A1
SCHEMBL3465163 0.69 CXCR2 (0.39) ALDH1A1
SCHEMBL5106485 0.68 KDM4E (0.44) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL128526 0.67 MEN1 (0.68) MEN1KMT2AGPR84L3MBTL1NPSR1
SCHEMBL29618255 0.67 MEN1 (0.68) MEN1KMT2AGPR84L3MBTL1NPSR1
SCHEMBL15157483 0.67 PARP1 (0.50) KDM4EALDH1A1

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-20080280949-A1 Oxopyridyl Quinoline Amides as Nk3 Receptor Modulators ASTRAZENECA AB (SE) 2008-11-13 US claimed
US-20080280949-A1 Oxopyridyl Quinoline Amides as Nk3 Receptor Modulators ASTRAZENECA AB (SE) 2008-11-13 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-20080280949-A1 Oxopyridyl Quinoline Amides as Nk3 Receptor Modulators KCNA3, KCNQ3, GPR3 MEN1 1842/4885KMT2A 699/4885GPR84 266/4885

“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.