SCHEMBL4884059

SCHEMBL4884059

COc1cccc(-c2ncc(-c3cccnc3)o2)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.71
ALDH1A1 P00352 6/20 0.71
HPGD P15428 5/20 0.71
SMN1; SMN2 Q16637 5/20 0.71
NPC1 O15118 8/20 0.58
RAB9A P51151 8/20 0.58
HSD17B10 Q99714 2/20 0.58
CYP1A2 P05177 2/20 0.57
CYP3A4 P08684 2/20 0.57
CYP2C19 P33261 2/20 0.57
TP53 P04637 2/20 0.57
MAPT P10636 2/20 0.57
CYP2D6 P10635 1/20 0.57
CYP2C9 P11712 1/20 0.57
NPY5R Q15761 1/20 0.54
LMNA P02545 1/20 0.52
HTT P42858 1/20 0.52
CYP19A1 P11511 2/20 0.50
CYP17A1 P05093 1/20 0.49
CYP11B1 P15538 1/20 0.49

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
SCHEMBL4880206 0.86 KDM4E (0.89) KDM4EALDH1A1HPGDSMN1; SMN2NPC1
SCHEMBL4883708 0.86 ALOX15 (0.60) KDM4EALDH1A1HPGDSMN1; SMN2NPC1
SCHEMBL1180099 0.85 KDM4E (0.68) KDM4EALDH1A1HPGDSMN1; SMN2NPC1
SCHEMBL4871472 0.83 KDM4E (1.00) KDM4EALDH1A1HPGDSMN1; SMN2NPC1
SCHEMBL1423305 0.82 NPC1 (0.74) KDM4EALDH1A1HPGDSMN1; SMN2NPC1
SCHEMBL792083 0.79 CYP11B2 (0.73) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL29566706 0.79 CYP11B2 (0.73) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL9606209 0.78 ALDH1A1 (0.62) KDM4EALDH1A1HPGDSMN1; SMN2NPC1
SCHEMBL30377760 0.78 ALDH1A1 (0.62) KDM4EALDH1A1HPGDSMN1; SMN2NPC1
SCHEMBL4882549 0.78 RAB9A (0.87) KDM4EALDH1A1HPGDSMN1; SMN2NPC1

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 3 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
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 404/4885HPGD 671/4885

“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.