SCHEMBL1966676

SCHEMBL1966676

CC(C)(C)C(=O)C(CCOCc1ccc(F)cc1)n1cncn1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.54
CYP19A1 P11511 6/20 0.43
CYP3A4 P08684 1/20 0.42
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PDE4B Q07343 1/20 0.34
HSP90AA1 P07900 1/20 0.34
CYP24A1 Q07973 1/20 0.34
LMNA P02545 1/20 0.33
MAPK14 Q16539 1/20 0.33
DDR2 Q16832 1/20 0.33

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
SCHEMBL11366095 0.83 MAPT (0.77) MAPTCYP19A1CYP3A4KMT2AMEN1
SCHEMBL1964353 0.79 MEN1 (0.54) MAPTCYP19A1CYP3A4KMT2AMEN1
SCHEMBL1963735 0.78 MAPT (0.54) MAPTCYP19A1CYP3A4KMT2AMEN1
SCHEMBL1965569 0.78 MAPT (0.53) MAPTCYP19A1CYP3A4KMT2AMEN1
SCHEMBL2215950 0.76 MAPT (0.51) MAPTCYP19A1CYP3A4KMT2ASMN1; SMN2
SCHEMBL2169975 0.76 MAPT (0.51) MAPTCYP19A1CYP3A4KMT2ASMN1; SMN2
SCHEMBL11641005 0.76 MAPT (0.56) MAPTCYP19A1CYP3A4KMT2AMEN1
SCHEMBL11181063 0.75 MAPT (0.65) MAPTCYP19A1CYP3A4KMT2AMEN1
SCHEMBL10666615 0.74 MAPT (0.55) MAPTCYP19A1CYP3A4KMT2AMEN1
SCHEMBL1967989 0.74 MAPT (0.47) MAPTCYP3A4KMT2AMEN1HSP90AA1

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-20110172095-A1 Triazole Compounds, Use Thereof and Agents Containing Same BASF SE (DE) 2011-07-14 US disclosed
EP-2334656-A1 TRIAZOLE COMPOUNDS, USE THEREOF, AND AGENTS CONTAINING SAME BASF SE (DE) 2011-06-22 EP disclosed
WO-2010029001-A1 TRIAZOLE COMPOUNDS, USE THEREOF, AND AGENTS CONTAINING SAME BASF SE (DE) 2010-03-18 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-20110172095-A1 Triazole Compounds, Use Thereof and Agents Containing Same CYP3A43, CYP3A5, CYP1B1 MAPT 1741/4885CYP19A1 62/4885CYP3A4 8/4885

“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.