SCHEMBL11999797

SCHEMBL11999797

COc1ccc(C2CC(=O)CC(c3ccc(OC(F)(F)F)cc3)N2C)cc1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.52
KCNA5 P22460 1/20 0.49
KCNH2 Q12809 1/20 0.49
SCD5 Q86SK9 1/20 0.45
HCRTR1 O43613 12/20 0.44
HCRTR2 O43614 12/20 0.44
CCR6 P51684 1/20 0.43
PDE5A O76074 1/20 0.41
CHRM5 P08912 1/20 0.41
KMT2A Q03164 1/20 0.40

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
SCHEMBL1490992 0.94 PDE5A (0.44) L3MBTL1KCNA5KCNH2SCD5HCRTR1
SCHEMBL11971078 0.88 KMT2A (0.47) L3MBTL1KCNA5KCNH2KMT2A
SCHEMBL5598624 0.88 KMT2A (0.47) L3MBTL1KCNA5KCNH2KMT2A
SCHEMBL1494428 0.74 ESR1 (0.44) KCNA5KCNH2KMT2A
SCHEMBL514500 0.73 CA1 (0.58) L3MBTL1CCR6
SCHEMBL2886348 0.71 KCNA5 (0.72) KCNA5KCNH2HCRTR1HCRTR2
SCHEMBL5598942 0.70 MEN1 (0.43) KMT2A
SCHEMBL22816556 0.69 L3MBTL1 (0.48) L3MBTL1PDE5AKMT2A
SCHEMBL1490873 0.69 L3MBTL1 (0.41) L3MBTL1
SCHEMBL12676276 0.68 L3MBTL1 (0.53) L3MBTL1PDE5AKMT2A

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-9174960-B2 Compounds useful against kinetoplastideae parasites CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2015-11-03 US disclosed
US-20120214996-A1 COMPOUNDS USEFUL AGAINST KINETOPLASTIDEAE PARASITES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2012-08-23 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-20120214996-A1 COMPOUNDS USEFUL AGAINST KINETOPLASTIDEAE PARASITES TST, PDXK, TBCB L3MBTL1 474/4885KCNA5 671/4885KCNH2 204/4885

“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.