SCHEMBL1966587

SCHEMBL1966587

CC(Cc1ccc(F)cc1F)CC(C(O)C(C)(C)C)n1cncn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
TDP1 Q9NUW8 2/20 0.56
HSP90AA1 P07900 2/20 0.37
POLB P06746 1/20 0.37
CYP3A4 P08684 8/20 0.37
CYP2C9 P11712 6/20 0.37
CYP2C19 P33261 6/20 0.37
CYP19A1 P11511 3/20 0.37
LMNA P02545 2/20 0.37
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
ADRA1A P35348 1/20 0.37
CYP51A1 Q16850 1/20 0.37
CYP2B6 P20813 1/20 0.35
CYP3A5 P20815 1/20 0.35
CYP3A7 P24462 1/20 0.35
MAPK1 P28482 1/20 0.35
CYP3A43 Q9HB55 1/20 0.35
CYP46A1 Q9Y6A2 1/20 0.35

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
SCHEMBL12336847 0.90 KMT2A (0.66) MEN1KMT2ATDP1HSP90AA1POLB
SCHEMBL11380837 0.81 KMT2A (0.79) MEN1KMT2ATDP1HSP90AA1POLB
SCHEMBL2429794 0.81 MEN1 (0.82) MEN1KMT2ATDP1HSP90AA1POLB
SCHEMBL1970194 0.81 MAPT (0.53) MEN1KMT2ATDP1HSP90AA1CYP3A4
SCHEMBL1970517 0.77 MEN1 (0.56) MEN1KMT2ATDP1HSP90AA1POLB
SCHEMBL11369815 0.76 KMT2A (0.77) MEN1KMT2ATDP1HSP90AA1POLB
SCHEMBL12336846 0.73 MEN1 (0.47) MEN1KMT2ATDP1HSP90AA1POLB
SCHEMBL11365958 0.72 KMT2A (0.62) MEN1KMT2ATDP1HSP90AA1POLB
SCHEMBL21654 0.72 MEN1 (1.00) MEN1KMT2ATDP1HSP90AA1POLB
SCHEMBL11489337 0.72 MEN1 (1.00) MEN1KMT2ATDP1HSP90AA1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011110583-A2 FUNGICIDAL MIXTURES COMPRISING TRIAZOLE DERIVATIVES BASF SE (DE) 2011-09-15 WO disclosed
US-20110172099-A1 Imidazole and Triazole Compounds, Their Use and Agents Containing the Same BASF SE (DE) 2011-07-14 US disclosed
EP-2334649-A1 IMIDAZOLE AND TRIAZOLE COMPOUNDS, THEIR USE AND AGENTS CONTAINING THE SAME BASF SE (DE) 2011-06-22 EP disclosed
WO-2010031847-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-20110172099-A1 Imidazole and Triazole Compounds, Their Use and Agents Containing the Same COX4I1, CYP2C19, CYP3A43 MEN1 986/4885KMT2A 1323/4885TDP1 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.