SCHEMBL4879401

SCHEMBL4879401

COc1cccc(-c2nnc(-c3ccc(N)cc3)o2)c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.73
KMT2A Q03164 4/20 0.73
NPC1 O15118 13/20 0.71
RAB9A P51151 13/20 0.71
SMN1; SMN2 Q16637 8/20 0.71
HPGD P15428 7/20 0.71
ALDH1A1 P00352 6/20 0.71
HSD17B10 Q99714 4/20 0.71
MAPT P10636 4/20 0.71
TP53 P04637 3/20 0.71
NFKB1 P19838 1/20 0.71
NFKB2 Q00653 1/20 0.71
RELA Q04206 1/20 0.71
NPSR1 Q6W5P4 1/20 0.68
TDP1 Q9NUW8 1/20 0.68
POLB P06746 1/20 0.66
MEN1 O00255 2/20 0.62
ALOX15 P16050 2/20 0.58
GLA P06280 1/20 0.58
MECP2 P51608 1/20 0.55

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
SCHEMBL1181062 0.89 KDM4E (0.78) KDM4EKMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL3250240 0.87 NPC1 (0.72) KDM4EKMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL2716343 0.85 NPC1 (0.68) KDM4EKMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL27630742 0.85 NPC1 (0.68) KDM4EKMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL28757727 0.85 NPC1 (0.68) KDM4EKMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL1248566 0.82 NPC1 (0.65) KDM4EKMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL1012437 0.82 NPC1 (0.78) KDM4EKMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL1250845 0.82 KDM4E (0.73) KDM4EKMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL19685292 0.81 NPC1 (0.69) KDM4EKMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL968010 0.81 NPC1 (0.76) KDM4EKMT2ANPC1RAB9ASMN1; 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 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 2869/4885KMT2A 3103/4885NPC1 2981/4885

“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.