SCHEMBL5578162

SCHEMBL5578162

COc1ccc(Cn2cc(NC(C)=O)c(C(=O)OCC(=O)c3ccccc3)n2)cc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
NPC1 O15118 5/20 0.47
RAB9A P51151 4/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CACNA1G O43497 2/20 0.44
CACNA1H O95180 2/20 0.44
CACNA1I Q9P0X4 2/20 0.44
ESR2 Q92731 1/20 0.43
ADORA3 P0DMS8 2/20 0.42
ALDH1A1 P00352 3/20 0.42
MAPT P10636 3/20 0.42
KDM4E B2RXH2 1/20 0.41
ADORA2B P29275 1/20 0.41
HTT P42858 2/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL3580396 0.85 ALDH1A1 (0.48) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL5578223 0.82 CACNA1G (0.47) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL3586523 0.78 L3MBTL1 (0.45) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL28792108 0.78 MAPT (0.46) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL3575580 0.73 ADORA3 (0.49) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL14511664 0.73 ADORA3 (0.43) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL14511672 0.71 BRPF1 (0.46) MEN1KMT2ARAB9ASMN1; SMN2CACNA1G
SCHEMBL370028 0.71 KMT2A (0.53) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL11759747 0.70 ESR2 (0.77) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL29339830 0.69 CACNA1G (0.48) MEN1KMT2ANPC1RAB9ACACNA1G

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-20070105900-A1 Pharmaceutical compounds ATEX THERAPEUTICS, LIMITED (GB) 2007-05-10 US disclosed
US-20070105900-A1 Pharmaceutical compounds ATEX THERAPEUTICS, LIMITED (GB) 2007-05-10 US disclosed
EP-1648449-A2 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASES INHIBITORS Astex Therapeutics Limited (GB) 2006-04-26 EP disclosed
WO-2005002576-A2 IMIDAZOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASES INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2005-01-13 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-20070105900-A1 Pharmaceutical compounds AURKA, AURKC, CDK1 MEN1 1585/4885KMT2A 1706/4885NPC1 1220/4885

“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.