SCHEMBL1967346

SCHEMBL1967346

CC(Cc1cccc(Cl)c1Cl)CC(C(=O)C(C)(C)C)n1cncn1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.56
CYP3A4 P08684 2/20 0.43
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
TDP1 Q9NUW8 1/20 0.39
ADA P00813 1/20 0.36
HSP90AA1 P07900 2/20 0.33
SLC6A4 P31645 2/20 0.33
TSHR P16473 1/20 0.33
SLC6A2 P23975 1/20 0.33
PDK1 Q15118 1/20 0.33
PDK2 Q15119 1/20 0.33
PDK3 Q15120 1/20 0.33
PDK4 Q16654 1/20 0.33
PPARG P37231 1/20 0.33
CYP24A1 Q07973 1/20 0.33
POLB P06746 1/20 0.33
KDM4E B2RXH2 1/20 0.32
CYP26A1 O43174 2/20 0.32
CNR1 P21554 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
SCHEMBL1970517 0.81 MEN1 (0.56) MAPTCYP3A4KMT2AMEN1TDP1
SCHEMBL10363694 0.80 MAPT (0.63) MAPTCYP3A4KMT2AMEN1TDP1
SCHEMBL1970194 0.77 MAPT (0.53) MAPTCYP3A4KMT2AMEN1TDP1
SCHEMBL1965768 0.74 MAPT (0.56) MAPTCYP3A4KMT2AMEN1TDP1
SCHEMBL10355375 0.73 MEN1 (0.64) MAPTCYP3A4KMT2AMEN1TDP1
SCHEMBL5364455 0.72 MAPT (0.77) MAPTCYP3A4KMT2AMEN1TDP1
SCHEMBL11466661 0.72 MAPT (0.61) MAPTCYP3A4KMT2AMEN1TDP1
SCHEMBL9824981 0.72 MAPT (1.00) MAPTCYP3A4KMT2AMEN1TDP1
SCHEMBL3230944 0.72 MEN1 (0.55) MAPTCYP3A4KMT2AMEN1TDP1
SCHEMBL1967989 0.71 MAPT (0.47) MAPTCYP3A4KMT2AMEN1TDP1

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-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 MAPT 513/4885CYP3A4 4/4885KMT2A 1323/4885

“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.