SCHEMBL1965569

SCHEMBL1965569

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

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.53
CYP3A4 P08684 1/20 0.41
CYP19A1 P11511 6/20 0.39
KMT2A Q03164 3/20 0.36
HSP90AA1 P07900 1/20 0.35
MEN1 O00255 1/20 0.32
RORC P51449 1/20 0.32
CYP26A1 O43174 1/20 0.32
FAAH O00519 1/20 0.32
MGLL Q99685 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
SCHEMBL1967437 0.88 MAPT (0.65) MAPTCYP3A4CYP19A1KMT2AHSP90AA1
SCHEMBL11366095 0.80 MAPT (0.77) MAPTCYP3A4CYP19A1KMT2AHSP90AA1
SCHEMBL2192813 0.78 KMT2A (0.50) MAPTCYP19A1KMT2AHSP90AA1MEN1
SCHEMBL1966676 0.78 MAPT (0.54) MAPTCYP3A4CYP19A1KMT2AHSP90AA1
SCHEMBL2215950 0.78 MAPT (0.51) MAPTCYP3A4CYP19A1KMT2AHSP90AA1
SCHEMBL2169975 0.78 MAPT (0.51) MAPTCYP3A4CYP19A1KMT2AHSP90AA1
SCHEMBL11641005 0.78 MAPT (0.56) MAPTCYP3A4CYP19A1KMT2AHSP90AA1
SCHEMBL12418531 0.78 MAPT (0.58) MAPTCYP3A4KMT2AHSP90AA1MEN1
SCHEMBL10666615 0.76 MAPT (0.55) MAPTCYP3A4CYP19A1KMT2AMEN1
SCHEMBL1923770 0.75 MAPT (0.55) MAPTCYP3A4KMT2AHSP90AA1MEN1

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-20110172097-A1 Imidazole and Triazole Compounds, Their Use and Agents Containing The Same BASF SE (DE) 2011-07-14 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-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-20110172097-A1 Imidazole and Triazole Compounds, Their Use and Agents Containing The Same COX4I1, CYP2C19, CYP3A43 MAPT 513/4885CYP3A4 4/4885CYP19A1 314/4885

“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.