SCHEMBL5106485

SCHEMBL5106485

NC(=O)C[CH]c1cccc[n+]1[O-]

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.44
TDP1 Q9NUW8 2/20 0.44
RAB9A P51151 4/20 0.36
NPC1 O15118 3/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
SLC2A1 P11166 1/20 0.36
ALDH1A1 P00352 7/20 0.36
HPGD P15428 2/20 0.36
APOBEC3A P31941 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
GAA P10253 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HSD17B10 Q99714 1/20 0.35
LMNA P02545 5/20 0.33
MAPT P10636 3/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HTT P42858 1/20 0.33
ACHE P22303 2/20 0.33

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
SCHEMBL5106488 0.78 LMNA (0.42) KDM4ETDP1RAB9ANPC1KMT2A
SCHEMBL5322137 0.69 ALDH1A1 (0.46) KDM4ETDP1RAB9ANPC1KMT2A
SCHEMBL5103982 0.69 KMT2A (0.34) KDM4EKMT2AMEN1ALDH1A1HPGD
SCHEMBL3279254 0.69
SCHEMBL2958490 0.68 HCAR2 (0.48) KDM4ETDP1RAB9ANPC1KMT2A
SCHEMBL5114084 0.68 MEN1 (0.43) KDM4ETDP1KMT2AMEN1ALDH1A1
SCHEMBL176807 0.67 PAM (0.47) KDM4ETDP1ALDH1A1HPGDNPSR1
SCHEMBL1378679 0.66 RAB9A (0.42) KDM4ETDP1RAB9ANPC1KMT2A
SCHEMBL30488814 0.66 KDM4E (0.43) KDM4ETDP1RAB9ANPC1KMT2A
SCHEMBL2833136 0.66 KDM4E (0.43) KDM4ETDP1RAB9ANPC1KMT2A

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 KDM4E 1246/4885TDP1 4281/4885RAB9A 1964/4885

“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.