SCHEMBL5116348

SCHEMBL5116348

CCCCCNS(=O)(=O)NC(=O)C=Cc1c(C)nn(C)c1-n1ccc2cccnc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 7/20 0.37
HDAC3 O15379 2/20 0.36
HDAC4 P56524 2/20 0.36
HDAC1 Q13547 2/20 0.36
HDAC7 Q8WUI4 2/20 0.36
HDAC2 Q92769 2/20 0.36
HDAC10 Q969S8 2/20 0.36
HDAC11 Q96DB2 2/20 0.36
HDAC8 Q9BY41 2/20 0.36
HDAC6 Q9UBN7 2/20 0.36
HDAC9 Q9UKV0 2/20 0.36
HDAC5 Q9UQL6 2/20 0.36
MTNR1A P48039 1/20 0.35
ENPP3 O14638 2/20 0.34
ENPP1 P22413 2/20 0.32
CNR1 P21554 2/20 0.31
CNR2 P34972 2/20 0.31
NPY5R Q15761 1/20 0.31
SLC22A12 Q96S37 1/20 0.31
EGFR P00533 1/20 0.31

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
SCHEMBL5116334 1.00 BRAF (0.37) BRAFHDAC3HDAC4HDAC1HDAC7
SCHEMBL961617 0.97 BRAF (0.38) BRAFHDAC3HDAC4HDAC1HDAC7
SCHEMBL961620 0.97 BRAF (0.38) BRAFHDAC3HDAC4HDAC1HDAC7
SCHEMBL961989 0.94 HDAC3 (0.38) BRAFHDAC3HDAC4HDAC1HDAC7
SCHEMBL961991 0.94 HDAC3 (0.38) BRAFHDAC3HDAC4HDAC1HDAC7
SCHEMBL963666 0.89 BRAF (0.36) BRAFHDAC3HDAC4HDAC1HDAC7
SCHEMBL963669 0.89 BRAF (0.36) BRAFHDAC3HDAC4HDAC1HDAC7
SCHEMBL967860 0.89 MTNR1A (0.37) BRAFHDAC3HDAC4HDAC1HDAC7
SCHEMBL967858 0.89 MTNR1A (0.37) BRAFHDAC3HDAC4HDAC1HDAC7
SCHEMBL966145 0.88 PPARG (0.38) BRAFHDAC3HDAC4HDAC1HDAC7

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-20080194617-A1 Fused ring compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-08-14 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-20080194617-A1 Fused ring compound SLC5A1, SLC5A2, GPR119 BRAF 2412/4885HDAC3 131/4885HDAC4 191/4885

“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.