SCHEMBL10068142

SCHEMBL10068142

CCCNC(=O)Nc1cccc(C(C)(C)C)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.48
HTT P42858 1/20 0.48
MAPT P10636 2/20 0.47
RAB9A P51151 3/20 0.45
NPC1 O15118 2/20 0.45
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ATM Q13315 1/20 0.42
SYK P43405 1/20 0.41
GSK3A P49840 3/20 0.41
GSK3B P49841 3/20 0.41
AURKA O14965 1/20 0.41
PRKX P51817 1/20 0.41
PRKG1 Q13976 1/20 0.41
MAPKAPK5 Q8IW41 1/20 0.41
SRPK1 Q96SB4 1/20 0.41
GBA1 P04062 1/20 0.40
TP53 P04637 1/20 0.40
ACVR1 Q04771 3/20 0.40

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
SCHEMBL10068151 0.91 HTT (0.54) EPHX1SMN1; SMN2HTTRAB9ANPC1
SCHEMBL10068140 0.89 EPHX1 (0.53) EPHX1SMN1; SMN2HTTRAB9ANPC1
SCHEMBL10082138 0.89 EPHX1 (0.47) EPHX1SMN1; SMN2HTTMAPTRAB9A
SCHEMBL10068162 0.85 PIK3CG (0.45) SMN1; SMN2HTTMAPTRAB9AMEN1
SCHEMBL10068163 0.84 MAPK13 (0.57) EPHX1SMN1; SMN2MAPTRAB9ANPC1
SCHEMBL10068168 0.81 FPR2 (0.49) SMN1; SMN2MAPTRAB9ANPC1KMT2A
SCHEMBL10068149 0.81 MAPK13 (0.55) SMN1; SMN2HTTMAPTRAB9ANPC1
SCHEMBL22822777 0.80 RAB9A (0.50) SMN1; SMN2MAPTRAB9ANPC1MEN1
SCHEMBL77605 0.79 ADORA3 (0.47) SMN1; SMN2RAB9ANPC1TP53
SCHEMBL10082882 0.79 CHRNB2 (0.52) EPHX1SMN1; SMN2HTTMAPTRAB9A

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 EPHX1 1280/4885SMN1; SMN2 4458/4885HTT 148/4885

“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.