SCHEMBL10082868

SCHEMBL10082868

CCc1cccc(NC(=O)NC(C)(C)C)n1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CHRNB2 P17787 2/20 0.49
▸ CHRNB4 P30926 2/20 0.49
▸ CHRNA3 P32297 2/20 0.49
▸ CHRNA4 P43681 2/20 0.49
▸ RAB9A P51151 3/20 0.46
▸ SYK P43405 1/20 0.44
▸ MEN1 O00255 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ NPC1 O15118 2/20 0.41
▸ ATR Q13535 1/20 0.40
▸ GBA1 P04062 1/20 0.40
▸ HSD11B1 P28845 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
SCHEMBL4171284 0.81 CHRNB2 (0.51) CHRNB2CHRNB4CHRNA3CHRNA4RAB9A
SCHEMBL3111821 0.80 CHRNB2 (0.56) CHRNB2CHRNB4CHRNA3CHRNA4RAB9A
SCHEMBL7895323 0.79 MAPK8 (0.59) CHRNB2CHRNB4CHRNA3CHRNA4RAB9A
SCHEMBL10082882 0.79 CHRNB2 (0.52) CHRNB2CHRNB4CHRNA3CHRNA4RAB9A
SCHEMBL10068161 0.78 RAB9A (0.49) RAB9ASYKMEN1KMT2AMAPK1
SCHEMBL4076010 0.78 CHRNB2 (0.51) CHRNB2CHRNB4CHRNA3CHRNA4SYK
SCHEMBL6361201 0.78 CHRNB2 (0.53) CHRNB2CHRNB4CHRNA3CHRNA4RAB9A
SCHEMBL5032590 0.78 NR3C2 (0.57) CHRNB2CHRNB4CHRNA3CHRNA4RAB9A
SCHEMBL10082485 0.77 CHRNB2 (0.50) CHRNB2CHRNB4CHRNA3CHRNA4RAB9A
SCHEMBL12883344 0.77 CHRNB2 (0.41) CHRNB2CHRNB4CHRNA3CHRNA4SYK

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 CHRNB2 4648/4885CHRNB4 4707/4885CHRNA3 4123/4885

“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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