SCHEMBL10068161

SCHEMBL10068161

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 6/20 0.49
▸ KDM4E B2RXH2 2/20 0.46
▸ MEN1 O00255 4/20 0.45
▸ KMT2A Q03164 4/20 0.45
▸ MAPK1 P28482 3/20 0.45
▸ GBA1 P04062 3/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ MAPT P10636 2/20 0.44
▸ TP53 P04637 2/20 0.44
▸ NPC1 O15118 4/20 0.42
▸ AURKB Q96GD4 3/20 0.42
▸ PRKD3 O94806 1/20 0.42
▸ PRKCG P05129 1/20 0.42
▸ CDK1 P06493 1/20 0.42
▸ CDK2 P24941 1/20 0.42
▸ FLT4 P35916 1/20 0.42
▸ FLT3 P36888 1/20 0.42
▸ FRK P42685 1/20 0.42
▸ CDK8 P49336 1/20 0.42
▸ CSNK2A1 P68400 1/20 0.42

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
SCHEMBL22822777 0.85 RAB9A (0.50) RAB9AKDM4EMEN1KMT2AGBA1
SCHEMBL29177265 0.81 RAB9A (0.49) RAB9AKDM4EMEN1KMT2AGBA1
SCHEMBL10183380 0.81 KDM4E (0.57) RAB9AKDM4EMEN1KMT2AGBA1
SCHEMBL10068154 0.80 ADORA1 (0.47) RAB9AKDM4EMEN1KMT2AMAPT
SCHEMBL10068142 0.79 EPHX1 (0.49) RAB9AMEN1KMT2AGBA1SMN1; SMN2
SCHEMBL10068145 0.79 MAPK13 (0.46) RAB9AMEN1KMT2AMAPK1SMN1; SMN2
SCHEMBL10082868 0.78 CHRNB2 (0.49) RAB9AMEN1KMT2AMAPK1GBA1
SCHEMBL10068186 0.77 XIAP (0.49) RAB9AKDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL10068190 0.77 GRM5 (0.45) RAB9AKDM4EAURKBPRKD3PRKCG
SCHEMBL10068149 0.77 MAPK13 (0.55) RAB9AKDM4EMEN1KMT2AMAPK1

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 RAB9A 3267/4885KDM4E 648/4885MEN1 741/4885

“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.

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