SCHEMBL4871397

SCHEMBL4871397

CN(C)c1ccc(-c2nnc(-c3ccc(Cl)cc3)o2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.69
ALDH1A1 P00352 7/20 0.69
APP P05067 1/20 0.69
MAPT P10636 5/20 0.65
HSD17B10 Q99714 5/20 0.65
HPGD P15428 5/20 0.65
LMNA P02545 1/20 0.62
HTT P42858 1/20 0.62
NPC1 O15118 10/20 0.59
RAB9A P51151 9/20 0.59
KMT2A Q03164 3/20 0.59
CA1 P00915 1/20 0.59
CA2 P00918 1/20 0.59
SMN1; SMN2 Q16637 4/20 0.59
TSHR P16473 3/20 0.59
TP53 P04637 3/20 0.59
RXFP1 Q9HBX9 2/20 0.58
NFKB1 P19838 2/20 0.58
CASP3 P42574 2/20 0.58
NFKB2 Q00653 2/20 0.58

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
SCHEMBL122784 0.90 APP (0.81) KDM4EALDH1A1APPMAPTHSD17B10
SCHEMBL8889974 0.88 APP (0.79) KDM4EALDH1A1APPMAPTHSD17B10
SCHEMBL21887193 0.84 NPC1 (0.79) KDM4EALDH1A1MAPTHSD17B10HPGD
SCHEMBL6689179 0.83 APP (0.71) KDM4EALDH1A1APPMAPTHSD17B10
SCHEMBL12641772 0.83 APP (0.71) KDM4EALDH1A1APPMAPTHSD17B10
SCHEMBL12573308 0.81 APP (1.00) KDM4EALDH1A1APPMAPTHSD17B10
SCHEMBL9885482 0.81 APP (0.69) KDM4EALDH1A1APPMAPTHSD17B10
SCHEMBL556200 0.80 NPC1 (0.67) KDM4EALDH1A1APPMAPTHSD17B10
SCHEMBL11053599 0.79 APP (0.56) KDM4EALDH1A1APPMAPTHSD17B10
SCHEMBL169499 0.79 APP (0.65) KDM4EALDH1A1APPMAPTHSD17B10

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-20080015193-A1 Certain azoles exhibiting ATP-utilizing enzyme inhibitory activity, compositions, and uses thereof AGRIUS GROUP, LLC. 2008-01-17 US claimed
WO-2007149395-A2 2,5-SUBSTITUTED OXAZOLE DERIVATIVES AS PROTEIN KINASE INHIBITORS FOR THE TREATMENT OF CANCER AMPHORA DISCOVERY CORPORATION (US) 2007-12-27 WO claimed
US-20080015193-A1 Certain azoles exhibiting ATP-utilizing enzyme inhibitory activity, compositions, and uses thereof AGRIUS GROUP, LLC. 2008-01-17 US disclosed
WO-2007149395-A2 2,5-SUBSTITUTED OXAZOLE DERIVATIVES AS PROTEIN KINASE INHIBITORS FOR THE TREATMENT OF CANCER AMPHORA DISCOVERY CORPORATION (US) 2007-12-27 WO 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-20080015193-A1 Certain azoles exhibiting ATP-utilizing enzyme inhibitory activity, compositions, and uses thereof ATP5ME, ATP5MG, ATP5MK KDM4E 2869/4885ALDH1A1 404/4885APP 2776/4885

“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.