SCHEMBL10068168

SCHEMBL10068168

CC(C)(C)c1cccc(NC(=O)NCCc2ccc(F)cc2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FPR2 P25090 1/20 0.49
▸ CNR1 P21554 2/20 0.49
▸ CA2 P00918 4/20 0.48
▸ CA9 Q16790 3/20 0.48
▸ TRPV1 Q8NER1 1/20 0.46
▸ MAPK13 O15264 1/20 0.46
▸ MAPK12 P53778 1/20 0.46
▸ MAPK11 Q15759 1/20 0.46
▸ MAPK14 Q16539 1/20 0.46
▸ NPC1 O15118 4/20 0.44
▸ RAB9A P51151 4/20 0.44
▸ GBA1 P04062 1/20 0.44
▸ TP53 P04637 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ CA1 P00915 3/20 0.43
▸ CA12 O43570 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ MAPT P10636 2/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL10068163 0.89 MAPK13 (0.57) CNR1CA2CA9TRPV1MAPK13
SCHEMBL10068143 0.86 FPR2 (0.58) FPR2CNR1TRPV1NPC1RAB9A
SCHEMBL10082147 0.82 CNR1 (0.50) FPR2CNR1CA2CA9NPC1
SCHEMBL10068142 0.81 EPHX1 (0.49) NPC1RAB9AGBA1TP53SMN1; SMN2
SCHEMBL77444 0.78 KMT2A (0.55) FPR2CNR1NPC1RAB9ASMN1; SMN2
SCHEMBL10068151 0.78 HTT (0.54) NPC1RAB9ASMN1; SMN2
SCHEMBL10068162 0.78 PIK3CG (0.45) RAB9ASMN1; SMN2HPGDKMT2AMAPT
SCHEMBL10068140 0.77 EPHX1 (0.53) NPC1RAB9ASMN1; SMN2
SCHEMBL10068149 0.76 MAPK13 (0.55) CA2CA9MAPK13MAPK12MAPK11
SCHEMBL30602598 0.76 HTT (0.59) FPR2CNR1NPC1RAB9ASMN1; SMN2

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 FPR2 3163/4885CNR1 3069/4885CA2 186/4885

“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.

Send feedback