SCHEMBL8736784

SCHEMBL8736784

CNC(=O)c1cccc(Sc2cccc(C)c2C)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 2/20 0.49
HDAC6 Q9UBN7 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.42
PSMD14 O00487 1/20 0.41
STAMBP O95630 1/20 0.41
COPS5 Q92905 1/20 0.41
TDP1 Q9NUW8 2/20 0.40
MAPT P10636 2/20 0.40
RAF1 P04049 1/20 0.39
PLK1 P53350 1/20 0.39
SLC7A5 Q01650 1/20 0.39
SCN9A Q15858 1/20 0.38
KIF11 P52732 1/20 0.38
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
HSD17B10 Q99714 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL3045395 0.78 MAPT (0.49) HDAC8HDAC6L3MBTL1TDP1MAPT
SCHEMBL15217740 0.77 HDAC8 (0.61) HDAC8HDAC6L3MBTL1PSMD14STAMBP
SCHEMBL20826073 0.76 PLK1 (0.61) HDAC8HDAC6MAPTPLK1SLC7A5
SCHEMBL621362 0.75 HDAC8 (0.50) HDAC8HDAC6PSMD14STAMBPCOPS5
SCHEMBL8612788 0.74 SLC6A3 (0.49) HDAC6L3MBTL1TDP1MAPTPLK1
SCHEMBL2961437 0.74 SLC6A2 (0.64) L3MBTL1MAPTKMT2AMEN1SMN1; SMN2
SCHEMBL9488050 0.74 HTR1A (0.48) L3MBTL1MAPTKMT2AMEN1CYP1A2
SCHEMBL5909363 0.73 HDAC8 (0.83) HDAC8HDAC6L3MBTL1PLK1SLC7A5
SCHEMBL10294650 0.72 HDAC8 (0.54) HDAC8HDAC6L3MBTL1PLK1SLC7A5
SCHEMBL162858 0.71 HDAC8 (0.68) HDAC8HDAC6L3MBTL1PSMD14STAMBP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120129893-A1 Inhibition Of Raf Kinase Using Substituted Heterocyclic Ureas DUMAS JACQUES (US) 2012-05-24 US disclosed
US-20120129893-A1 Inhibition Of Raf Kinase Using Substituted Heterocyclic Ureas DUMAS JACQUES (US) 2012-05-24 US disclosed
US-20070244120-A1 INHIBITION OF RAF KINASE USING SUBSTITUTED HETEROCYCLIC UREAS BAYER HEALTHCARE LLC 2007-10-18 US disclosed
US-20070244120-A1 INHIBITION OF RAF KINASE USING SUBSTITUTED HETEROCYCLIC UREAS BAYER HEALTHCARE LLC 2007-10-18 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 (2 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-20070244120-A1 INHIBITION OF RAF KINASE USING SUBSTITUTED HETEROCYCLIC UREAS BRAF, RAF1, ARAF HDAC8 787/4885HDAC6 1783/4885L3MBTL1 1879/4885
US-20120129893-A1 Inhibition Of Raf Kinase Using Substituted Heterocyclic Ureas BRAF, RAF1, ARAF HDAC8 787/4885HDAC6 1783/4885L3MBTL1 1879/4885

“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.