SCHEMBL6371011

SCHEMBL6371011

CCOC(=O)c1cc(-c2ccc(-c3ccccc3)cc2)n(-c2cccc(C(F)(F)F)c2)n1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 2/20 0.58
FAAH O00519 4/20 0.53
RPA1 P27694 2/20 0.52
CHRNA7 P36544 2/20 0.52
KMT2A Q03164 2/20 0.51
BCL2 P10415 1/20 0.51
MDM2 Q00987 1/20 0.51
MCL1 Q07820 1/20 0.51
MGLL Q99685 1/20 0.51
APP P05067 1/20 0.49
MAPT P10636 1/20 0.49
ADORA1 P30542 1/20 0.49
GAA P10253 1/20 0.48
THRB P10828 1/20 0.48
PTGS2 P35354 1/20 0.47

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
SCHEMBL16876779 0.90 FAAH (0.53) CA9FAAHCHRNA7MGLLAPP
SCHEMBL1764964 0.88 FAAH (0.53) CA9FAAHCHRNA7KMT2AMGLL
SCHEMBL2194152 0.87 FAAH (0.54) CA9FAAHCHRNA7KMT2AMGLL
SCHEMBL2192072 0.86 FAAH (0.57) CA9FAAHCHRNA7KMT2AMGLL
SCHEMBL9630738 0.84 CA9 (0.77) CA9FAAHRPA1CHRNA7KMT2A
SCHEMBL2193609 0.84 FAAH (0.60) CA9FAAHCHRNA7KMT2AMGLL
SCHEMBL1764945 0.84 CHRNA7 (0.62) CA9FAAHCHRNA7KMT2AMGLL
SCHEMBL1764938 0.83 CHRNA7 (0.61) CA9FAAHRPA1CHRNA7KMT2A
SCHEMBL2193229 0.83 CA9 (0.65) CA9FAAHRPA1CHRNA7KMT2A
SCHEMBL6586118 0.82 MAPT (0.57) KMT2AAPPMAPTADORA1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050272784-A1 Inhibitors of bacterial Type III protein secretion systems LI XIAOBING 2005-12-08 US disclosed
WO-2005113522-A1 AZOLE CARBOXAMIDE INHIBITORS OF BACTERIAL TYPE III PROTEIN SECRETION SYSTEMS JANSSEN PHARMACEUTICA, N.V. (BE) 2005-12-01 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-20050272784-A1 Inhibitors of bacterial Type III protein secretion systems GBA3, PSMB3, SEC61B CA9 3439/4885FAAH 3399/4885RPA1 2985/4885

“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.