SCHEMBL2221110

SCHEMBL2221110

CC(C)(C)C(=O)C(CCc1ccccc1)n1cncn1

nearest known ligand 0.77

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.77
CYP24A1 Q07973 1/20 0.51
CYP3A4 P08684 2/20 0.44
PPARG P37231 1/20 0.44
ALDH1A1 P00352 2/20 0.41
CYP26A1 O43174 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
CYP19A1 P11511 3/20 0.40
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
HSP90AA1 P07900 2/20 0.38

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
SCHEMBL9824981 0.87 MAPT (1.00) MAPTCYP24A1CYP3A4PPARGALDH1A1
SCHEMBL11181063 0.81 MAPT (0.65) MAPTCYP24A1CYP3A4ALDH1A1CYP26A1
SCHEMBL1967437 0.81 MAPT (0.65) MAPTCYP24A1CYP3A4PPARGALDH1A1
SCHEMBL10568398 0.80 MAPT (0.62) MAPTCYP24A1CYP3A4ALDH1A1CYP26A1
SCHEMBL12415427 0.79 MAPT (0.60) MAPTCYP24A1CYP3A4CYP26A1CYP1A2
SCHEMBL3119229 0.79 MAPT (0.57) MAPTCYP24A1CYP3A4PPARGALDH1A1
SCHEMBL10745288 0.79 MAPT (0.67) MAPTCYP24A1CYP3A4PPARGALDH1A1
SCHEMBL1963735 0.78 MAPT (0.54) MAPTCYP24A1CYP3A4PPARGALDH1A1
SCHEMBL10740956 0.78 MAPT (0.66) MAPTCYP24A1CYP3A4PPARGALDH1A1
SCHEMBL1965768 0.77 MAPT (0.56) MAPTCYP24A1CYP3A4PPARGALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110172098-A1 Imidazole and Triazole Compounds, Their Use and Agents Containing the Same BASF SE (DE) 2011-07-14 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-20110172098-A1 Imidazole and Triazole Compounds, Their Use and Agents Containing the Same COX4I1, CYP2C19, CYP3A43 MAPT 513/4885CYP24A1 282/4885CYP3A4 4/4885

“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.