SCHEMBL1965768

SCHEMBL1965768

CC(CCc1ccccc1F)CC(C(=O)C(C)(C)C)n1cncn1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.56
CYP3A4 P08684 2/20 0.41
CYP19A1 P11511 4/20 0.37
CYP24A1 Q07973 1/20 0.35
PPARG P37231 1/20 0.35
CYP26A1 O43174 2/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
HSP90AA1 P07900 1/20 0.33
SLC1A2 P43004 1/20 0.33
ALDH1A1 P00352 2/20 0.32
LMNA P02545 1/20 0.32
PLA2G1B P04054 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ATG4B Q9Y4P1 1/20 0.32

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
SCHEMBL1963735 0.83 MAPT (0.54) MAPTCYP3A4CYP19A1CYP24A1PPARG
SCHEMBL2221110 0.77 MAPT (0.77) MAPTCYP3A4CYP19A1CYP24A1PPARG
SCHEMBL1970194 0.77 MAPT (0.53) MAPTCYP3A4CYP19A1PPARGKMT2A
SCHEMBL1967346 0.74 MAPT (0.56) MAPTCYP3A4CYP24A1PPARGCYP26A1
SCHEMBL10666615 0.74 MAPT (0.55) MAPTCYP3A4CYP19A1KMT2AMEN1
SCHEMBL11366095 0.72 MAPT (0.77) MAPTCYP3A4CYP19A1CYP24A1PPARG
SCHEMBL9824981 0.72 MAPT (1.00) MAPTCYP3A4CYP19A1CYP24A1PPARG
SCHEMBL10363694 0.71 MAPT (0.63) MAPTCYP3A4CYP19A1CYP24A1PPARG
SCHEMBL2215950 0.71 MAPT (0.51) MAPTCYP3A4CYP19A1CYP24A1PPARG
SCHEMBL2169975 0.71 MAPT (0.51) MAPTCYP3A4CYP19A1CYP24A1PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110172097-A1 Imidazole and Triazole Compounds, Their Use and Agents Containing The Same BASF SE (DE) 2011-07-14 US disclosed
EP-2334650-A1 IMIDAZOLE AND TRIAZOLE COMPOUNDS, THEIR USE AND AGENTS CONTAINING THE SAME BASF SE (DE) 2011-06-22 EP disclosed
WO-2010031848-A1 IMIDAZOLE AND TRIAZOLE COMPOUNDS, THEIR USE AND AGENTS CONTAINING THE SAME BASF SE (DE) 2010-03-25 WO 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-20110172097-A1 Imidazole and Triazole Compounds, Their Use and Agents Containing The Same COX4I1, CYP2C19, CYP3A43 MAPT 513/4885CYP3A4 4/4885CYP19A1 314/4885

“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.