SCHEMBL10068151

SCHEMBL10068151

CCCCCNC(=O)Nc1cccc(C(C)(C)C)n1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
EPHX1 P07099 8/20 0.51
ALDH1A1 P00352 1/20 0.51
ATM Q13315 1/20 0.48
EPHX2 P34913 3/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
ALOX12 P18054 1/20 0.45
P2RY1 P47900 1/20 0.44
POLB P06746 1/20 0.44

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
SCHEMBL10068140 0.99 EPHX1 (0.53) HTTSMN1; SMN2EPHX1ALDH1A1ATM
SCHEMBL10068142 0.91 EPHX1 (0.49) HTTSMN1; SMN2EPHX1ATMNPC1
SCHEMBL12974657 0.86 EPHX1 (0.63) HTTSMN1; SMN2EPHX1ALDH1A1ATM
SCHEMBL10068162 0.82 PIK3CG (0.45) HTTSMN1; SMN2ALDH1A1RAB9APOLB
SCHEMBL77586 0.81 NPC1 (0.49) SMN1; SMN2ALDH1A1NPC1RAB9APOLB
SCHEMBL10083506 0.81 HTT (0.57) HTTSMN1; SMN2EPHX1ALDH1A1ATM
SCHEMBL10068163 0.81 MAPK13 (0.57) SMN1; SMN2EPHX1ALDH1A1NPC1RAB9A
SCHEMBL10082138 0.80 EPHX1 (0.47) HTTSMN1; SMN2EPHX1ATMNPC1
SCHEMBL10082872 0.80 EPHX1 (0.56) HTTSMN1; SMN2EPHX1ALDH1A1ATM
SCHEMBL12974664 0.80 EPHX1 (0.56) HTTSMN1; SMN2EPHX1ALDH1A1ATM

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

“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.