SCHEMBL10068191

SCHEMBL10068191

CC(C)CC(=O)Nc1cccc(C(C)(C)C)n1

nearest known ligand 0.74

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.74
ADORA1 P30542 2/20 0.48
ADORA3 P0DMS8 1/20 0.48
ADORA2A P29274 1/20 0.48
RAB9A P51151 2/20 0.44
GAA P10253 1/20 0.44
PTPN1 P18031 1/20 0.44
HPGD P15428 2/20 0.43
LMNA P02545 1/20 0.43
SYK P43405 3/20 0.43
KCNH2 Q12809 1/20 0.43
NPC1 O15118 1/20 0.43
MAPK14 Q16539 2/20 0.42
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
TGFBR1 P36897 1/20 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
SCHEMBL77605 0.81 ADORA3 (0.47) SMN1; SMN2ADORA1ADORA3ADORA2ARAB9A
SCHEMBL13026590 0.80 SMN1; SMN2 (0.81) SMN1; SMN2RAB9ANPC1ALDH1A1MAPT
SCHEMBL19116581 0.80 SMN1; SMN2 (0.81) SMN1; SMN2ADORA1ADORA3ADORA2ARAB9A
SCHEMBL10068186 0.80 XIAP (0.49) SMN1; SMN2ADORA1ADORA3ADORA2ARAB9A
SCHEMBL10079027 0.78 NPC1 (0.58) SMN1; SMN2RAB9AHPGDNPC1
SCHEMBL19116850 0.78 SMN1; SMN2 (0.72) SMN1; SMN2ADORA1ADORA3ADORA2ARAB9A
SCHEMBL10183380 0.78 KDM4E (0.57) SMN1; SMN2ADORA1ADORA3ADORA2ARAB9A
SCHEMBL29177265 0.78 RAB9A (0.49) SMN1; SMN2RAB9ALMNANPC1MAPT
SCHEMBL10082887 0.78 SMN1; SMN2 (0.77) SMN1; SMN2ADORA1ADORA3ADORA2ARAB9A
SCHEMBL20935124 0.78 SMN1; SMN2 (0.77) SMN1; SMN2ADORA1ADORA3ADORA2ARAB9A

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 SMN1; SMN2 4458/4885ADORA1 4324/4885ADORA3 3786/4885

“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.