SCHEMBL10068149

SCHEMBL10068149

CC(C)(C)c1cccc(NC(=O)NCc2ccccc2)n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 1/20 0.55
MAPK12 P53778 1/20 0.55
MAPK11 Q15759 1/20 0.55
MAPK14 Q16539 1/20 0.55
MAP3K5 Q99683 1/20 0.52
KDM4E B2RXH2 2/20 0.51
GSK3B P49841 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.50
RAB9A P51151 3/20 0.49
NPC1 O15118 2/20 0.49
MEN1 O00255 1/20 0.49
TP53 P04637 1/20 0.49
HPGD P15428 1/20 0.49
KMT2A Q03164 1/20 0.49
LMNA P02545 2/20 0.48
HTT P42858 2/20 0.48
MAPK1 P28482 2/20 0.47
MAPT P10636 1/20 0.46
CFD P00746 1/20 0.46
PTPN1 P18031 1/20 0.46

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
SCHEMBL10068163 0.87 MAPK13 (0.57) MAPK13MAPK12MAPK11MAPK14KDM4E
SCHEMBL10079027 0.81 NPC1 (0.58) SMN1; SMN2RAB9ANPC1MEN1HPGD
SCHEMBL10068142 0.81 EPHX1 (0.49) GSK3BSMN1; SMN2RAB9ANPC1MEN1
SCHEMBL10082146 0.80 MAP3K5 (0.53) MAP3K5KDM4EGSK3BSMN1; SMN2RAB9A
SCHEMBL22822777 0.78 RAB9A (0.50) KDM4EGSK3BSMN1; SMN2RAB9ANPC1
SCHEMBL29177265 0.78 RAB9A (0.49) KDM4ESMN1; SMN2RAB9ANPC1MEN1
SCHEMBL10068151 0.77 HTT (0.54) SMN1; SMN2RAB9ANPC1HTTALDH1A1
SCHEMBL10068162 0.77 PIK3CG (0.45) KDM4ESMN1; SMN2RAB9AMEN1HPGD
SCHEMBL10068161 0.77 RAB9A (0.49) KDM4EGSK3BSMN1; SMN2RAB9ANPC1
SCHEMBL10068156 0.76 ALDH1A1 (0.60) SMN1; SMN2RAB9ANPC1MEN1HPGD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8119646-B2 Fungicide hydroximoyl-tetrazole derivatives BAYER CROPSCIENCE AG (DE) 2012-02-21 US disclosed
US-20090258875-A1 Fungicide Hydroximoyl-Tetrazole Derivatives BAYER CROPSCIENCE AG (DE) 2009-10-15 US 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-20090258875-A1 Fungicide Hydroximoyl-Tetrazole Derivatives HAAO, CYP51A1, CYP8B1 MAPK13 3318/4885MAPK12 3715/4885MAPK11 3488/4885

“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.