SCHEMBL2182860

SCHEMBL2182860

CC(C)(C)C(=O)C(CCCc1cc2cccc(Cl)c2[nH]1)n1cncn1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.47
CYP3A4 P08684 2/20 0.39
PPARG P37231 1/20 0.34
KMT2A Q03164 3/20 0.33
CYP26A1 O43174 2/20 0.33
MEN1 O00255 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
HRH4 Q9H3N8 1/20 0.33
MAP3K5 Q99683 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
DAO P14920 1/20 0.32
MTNR1A P48039 1/20 0.31
MTNR1B P49286 1/20 0.31
TSHR P16473 1/20 0.30
CYP24A1 Q07973 1/20 0.30
HSP90AA1 P07900 1/20 0.30

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
SCHEMBL2181253 0.82 MEN1 (0.48) MAPTKMT2AMEN1HRH4TDP1
SCHEMBL1970622 0.76 MAPT (0.49) MAPTCYP3A4PPARGKMT2ACYP26A1
SCHEMBL3119229 0.71 MAPT (0.57) MAPTCYP3A4PPARGKMT2AMEN1
SCHEMBL1968942 0.70 MAPT (0.52) MAPTCYP3A4KMT2ACYP26A1MEN1
SCHEMBL1967989 0.70 MAPT (0.47) MAPTCYP3A4KMT2ACYP26A1MEN1
SCHEMBL1923770 0.70 MAPT (0.55) MAPTCYP3A4PPARGKMT2ACYP26A1
SCHEMBL12418531 0.70 MAPT (0.58) MAPTCYP3A4PPARGKMT2ACYP26A1
SCHEMBL2221110 0.70 MAPT (0.77) MAPTCYP3A4PPARGKMT2ACYP26A1
SCHEMBL1967437 0.69 MAPT (0.65) MAPTCYP3A4PPARGKMT2ACYP26A1
SCHEMBL10568398 0.68 MAPT (0.62) MAPTCYP3A4KMT2ACYP26A1MEN1

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-20110166020-A1 Imidazole and Triazole Compounds, Use Thereof and Agents Containing Said Compounds BASF SE (DE) 2011-07-07 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-20110166020-A1 Imidazole and Triazole Compounds, Use Thereof and Agents Containing Said Compounds COX4I1, NISCH, TPMT MAPT 508/4885CYP3A4 14/4885PPARG 1667/4885

“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.