SCHEMBL10068145

SCHEMBL10068145

CC(C)(C)c1cccc(NC(=O)NC2CC2)n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK13 O15264 1/20 0.46
▸ MAPK12 P53778 1/20 0.46
▸ MAPK11 Q15759 1/20 0.46
▸ MAPK14 Q16539 1/20 0.46
▸ EPHX1 P07099 4/20 0.45
▸ EPHX2 P34913 1/20 0.45
▸ RAB9A P51151 4/20 0.44
▸ HPGD P15428 2/20 0.44
▸ P2RY1 P47900 2/20 0.42
▸ PRKD3 O94806 1/20 0.41
▸ PRKCG P05129 1/20 0.41
▸ CDK1 P06493 1/20 0.41
▸ CDK2 P24941 1/20 0.41
▸ FLT4 P35916 1/20 0.41
▸ FLT3 P36888 1/20 0.41
▸ FRK P42685 1/20 0.41
▸ CDK8 P49336 1/20 0.41
▸ CSNK2A1 P68400 1/20 0.41
▸ CDK5 Q00535 1/20 0.41
▸ ACVR1 Q04771 1/20 0.41

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
SCHEMBL10068141 0.81 HPGD (0.70) RAB9AHPGDNPC1HTTSMN1; SMN2
SCHEMBL22822777 0.80 RAB9A (0.50) RAB9APRKD3PRKCGCDK1CDK2
SCHEMBL10068161 0.79 RAB9A (0.49) RAB9AHPGDPRKD3PRKCGCDK1
SCHEMBL10082139 0.77 CHRNB2 (0.47) EPHX1RAB9AHPGDNPC1KMT2A
SCHEMBL10183380 0.77 KDM4E (0.57) RAB9AHPGDKMT2AMEN1SMN1; SMN2
SCHEMBL29177265 0.77 RAB9A (0.49) RAB9APRKD3PRKCGCDK1CDK2
SCHEMBL10068154 0.75 ADORA1 (0.47) RAB9AKMT2AMEN1ALDH1A1
SCHEMBL10068142 0.74 EPHX1 (0.49) EPHX1RAB9ACDK8ACVR1MST1R
SCHEMBL10068186 0.73 XIAP (0.49) RAB9APRKD3PRKCGCDK1CDK2
SCHEMBL10068190 0.73 GRM5 (0.45) RAB9APRKD3PRKCGCDK1CDK2

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.

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