SCHEMBL2215950

SCHEMBL2215950

CC(C)(C)C(=O)C(CCC=Cc1ccc(F)cc1)n1cncn1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.51
CYP3A4 P08684 1/20 0.39
CYP19A1 P11511 7/20 0.38
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
HSP90AA1 P07900 1/20 0.34
KMT2A Q03164 1/20 0.34
RAB9A P51151 2/20 0.33
ATM Q13315 1/20 0.33
GRIK1 P39086 1/20 0.33
GRIK2 Q13002 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
NPC1 O15118 1/20 0.32
MITF O75030 1/20 0.32
PKM P14618 1/20 0.32
HTT P42858 1/20 0.32
PPARG P37231 1/20 0.32
CYP24A1 Q07973 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
SCHEMBL2169975 1.00 MAPT (0.51) MAPTCYP3A4CYP19A1LMNATP53
SCHEMBL2214289 0.79 KMT2A (0.48) MAPTCYP19A1LMNATP53HSP90AA1
SCHEMBL1967461 0.79 KMT2A (0.48) MAPTCYP19A1LMNATP53HSP90AA1
SCHEMBL11366095 0.78 MAPT (0.77) MAPTCYP3A4CYP19A1LMNAHSP90AA1
SCHEMBL1965569 0.78 MAPT (0.53) MAPTCYP3A4CYP19A1HSP90AA1KMT2A
SCHEMBL10771521 0.76 MAPT (0.55) MAPTCYP3A4LMNAHSP90AA1KMT2A
SCHEMBL1966676 0.76 MAPT (0.54) MAPTCYP3A4CYP19A1LMNAHSP90AA1
SCHEMBL11641005 0.76 MAPT (0.56) MAPTCYP3A4CYP19A1HSP90AA1KMT2A
SCHEMBL12415427 0.73 MAPT (0.60) MAPTCYP3A4CYP19A1LMNAHSP90AA1
SCHEMBL3121057 0.72 MAPT (0.53) MAPTCYP3A4LMNAHSP90AA1KMT2A

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-20110177950-A1 Imidazole and Triazole Compounds, Their Use and Agents Containing the Same BASF SE (DE) 2011-07-21 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-20110177950-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.