SCHEMBL2180573

SCHEMBL2180573

CC(C)(C)C(O)C(CC=CCOc1ccc(F)c(F)c1)n1cncn1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
TDP1 Q9NUW8 2/20 0.46
POLB P06746 2/20 0.44
HSP90AA1 P07900 1/20 0.44
CYP3A4 P08684 2/20 0.35
CYP19A1 P11511 4/20 0.32
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
HPGD P15428 1/20 0.31
MAOB P27338 1/20 0.31
AOC3 Q16853 1/20 0.31

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
SCHEMBL1937172 1.00 MEN1 (0.47) MEN1KMT2ATDP1POLBHSP90AA1
SCHEMBL10669435 0.84 MEN1 (0.49) MEN1KMT2ATDP1POLBHSP90AA1
SCHEMBL10669426 0.84 MEN1 (0.49) MEN1KMT2ATDP1POLBHSP90AA1
SCHEMBL2179492 0.81 MAPT (0.47) MEN1KMT2ATDP1POLBHSP90AA1
SCHEMBL1936250 0.81 MAPT (0.47) MEN1KMT2ATDP1POLBHSP90AA1
SCHEMBL2181209 0.81 MEN1 (0.43) MEN1KMT2ATDP1POLBHSP90AA1
SCHEMBL1937809 0.81 MEN1 (0.43) MEN1KMT2ATDP1POLBHSP90AA1
SCHEMBL3699829 0.81 MEN1 (0.47) MEN1KMT2ATDP1POLBHSP90AA1
SCHEMBL2020533 0.80 MEN1 (0.47) MEN1KMT2ATDP1POLBHSP90AA1
SCHEMBL1967631 0.80 MEN1 (0.47) MEN1KMT2ATDP1POLBHSP90AA1

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-20110166021-A1 Imidazole and Triazole Compounds, the Use Thereof and Preparations Containing These 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-20110166021-A1 Imidazole and Triazole Compounds, the Use Thereof and Preparations Containing These Compounds NISCH, CYP3A5, CYP11B2 MEN1 718/4885KMT2A 2143/4885TDP1 813/4885

“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.