SCHEMBL4883972

SCHEMBL4883972

Cc1ccc(-c2nnc(-c3ccncc3)o2)cc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.75
PKM P14618 1/20 0.75
RAB9A P51151 14/20 0.68
NPC1 O15118 13/20 0.68
SMN1; SMN2 Q16637 8/20 0.68
HPGD P15428 5/20 0.68
NFKB1 P19838 2/20 0.68
NFKB2 Q00653 2/20 0.68
RELA Q04206 2/20 0.68
POLB P06746 1/20 0.68
KDM4E B2RXH2 10/20 0.66
ATAD2 Q6PL18 1/20 0.64
USP2 O75604 1/20 0.62
KMT2A Q03164 5/20 0.61
ALDH1A1 P00352 7/20 0.61
HSD17B10 Q99714 5/20 0.61
MEN1 O00255 4/20 0.61
GAA P10253 2/20 0.61
STAT1 P42224 1/20 0.61
CYP1A2 P05177 2/20 0.59

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
SCHEMBL120253 0.89 NPC1 (0.83) TP53RAB9ANPC1SMN1; SMN2HPGD
SCHEMBL6015198 0.89 NPC1 (0.83) TP53RAB9ANPC1SMN1; SMN2HPGD
SCHEMBL11965041 0.87 PKM (0.90) TP53PKMRAB9ANPC1SMN1; SMN2
SCHEMBL13231671 0.87 NPC1 (0.79) TP53RAB9ANPC1SMN1; SMN2HPGD
SCHEMBL9612006 0.87 PKM (0.90) TP53PKMRAB9ANPC1SMN1; SMN2
SCHEMBL4883712 0.87 PKM (1.00) TP53PKMRAB9ANPC1SMN1; SMN2
SCHEMBL17206632 0.86 RAB9A (0.56) TP53PKMRAB9ANPC1SMN1; SMN2
SCHEMBL12918681 0.83 NPC1 (0.73) TP53RAB9ANPC1SMN1; SMN2HPGD
SCHEMBL13612274 0.82 TP53 (0.65) TP53PKMRAB9ANPC1SMN1; SMN2
SCHEMBL14328024 0.81 TP53 (0.64) TP53PKMRAB9ANPC1SMN1; SMN2

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 TP53 2741/4885PKM 1059/4885RAB9A 3960/4885

“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.