SCHEMBL1967461

SCHEMBL1967461

CC(C)(C)C(O)C(CC/C=C/c1ccc(F)cc1)n1cncn1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.48
MEN1 O00255 4/20 0.48
TDP1 Q9NUW8 2/20 0.45
CYP19A1 P11511 9/20 0.39
POLB P06746 1/20 0.38
HSP90AA1 P07900 1/20 0.38
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.32
CYP24A1 Q07973 1/20 0.31
PTGS1 P23219 1/20 0.30
PTGS2 P35354 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
SCHEMBL2214289 1.00 KMT2A (0.48) KMT2AMEN1TDP1CYP19A1POLB
SCHEMBL2169975 0.79 MAPT (0.51) KMT2ACYP19A1HSP90AA1LMNATP53
SCHEMBL2215950 0.79 MAPT (0.51) KMT2ACYP19A1HSP90AA1LMNATP53
SCHEMBL1964298 0.78 MEN1 (0.57) KMT2AMEN1TDP1CYP19A1POLB
SCHEMBL11369815 0.77 KMT2A (0.77) KMT2AMEN1TDP1CYP19A1POLB
SCHEMBL2192813 0.77 KMT2A (0.50) KMT2AMEN1TDP1CYP19A1POLB
SCHEMBL13447835 0.77 MEN1 (0.56) KMT2AMEN1TDP1CYP19A1POLB
SCHEMBL12437868 0.77 KMT2A (0.52) KMT2AMEN1TDP1CYP19A1POLB
SCHEMBL10769481 0.76 KMT2A (0.52) KMT2AMEN1TDP1POLBHSP90AA1
SCHEMBL1964353 0.76 MEN1 (0.54) KMT2AMEN1TDP1CYP19A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2346835-A1 IMIDAZOLE AND TRIAZOLE COMPOUNDS, THEIR USE AND AGENTS CONTAINING THE SAME BASF SE (DE) 2011-07-27 EP disclosed
US-20110177950-A1 Imidazole and Triazole Compounds, Their Use and Agents Containing the Same BASF SE (DE) 2011-07-21 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-2010031843-A1 IMIDAZOLE AND TRIAZOLE COMPOUNDS, THEIR USE AND AGENTS CONTAINING THE SAME BASF SE (DE) 2010-03-25 WO 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-20110177950-A1 Imidazole and Triazole Compounds, Their Use and Agents Containing the Same COX4I1, CYP2C19, CYP3A43 KMT2A 1323/4885MEN1 986/4885TDP1 688/4885

“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.