SCHEMBL962509

SCHEMBL962509

Cc1nn(C)c(-n2ccc3cc(F)ccc32)c1C=CC(=O)NS(=O)(=O)NCC1CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 6/20 0.41
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC10 Q969S8 1/20 0.32
HDAC11 Q96DB2 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
HDAC9 Q9UKV0 1/20 0.32
HDAC5 Q9UQL6 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.31
PTGER3 P43115 1/20 0.31
LMNA P02545 1/20 0.31
PLK1 P53350 1/20 0.31
PLK2 Q9NYY3 1/20 0.31
HPGDS O60760 1/20 0.31
THRB P10828 1/20 0.31
CNR2 P34972 1/20 0.30

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
SCHEMBL962508 1.00 NPY5R (0.41) NPY5RHDAC3HDAC4HDAC1HDAC7
SCHEMBL964071 0.92 NPY5R (0.33) NPY5RHDAC3HDAC4HDAC1HDAC7
SCHEMBL964073 0.92 NPY5R (0.33) NPY5RHDAC3HDAC4HDAC1HDAC7
SCHEMBL966866 0.91 NPY5R (0.41) NPY5RHDAC3HDAC4HDAC1HDAC7
SCHEMBL966865 0.91 NPY5R (0.41) NPY5RHDAC3HDAC4HDAC1HDAC7
SCHEMBL965347 0.90 NPY5R (0.41) NPY5RTHRBCNR2
SCHEMBL965345 0.90 NPY5R (0.41) NPY5RTHRBCNR2
SCHEMBL967080 0.88 NPY5R (0.39) NPY5RHDAC3HDAC4HDAC1HDAC7
SCHEMBL967081 0.88 NPY5R (0.39) NPY5RHDAC3HDAC4HDAC1HDAC7
SCHEMBL967721 0.88 NPY5R (0.43) NPY5R

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-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA TAKEDA PHARMACEUTICAL COMPANY LIMITED 2011-01-13 US disclosed
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 (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-20080194617-A1 Fused ring compound SLC5A1, SLC5A2, GPR119 NPY5R 1067/4885HDAC3 131/4885HDAC4 191/4885
US-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA PPARA, PPARD, PPARG NPY5R 764/4885HDAC3 103/4885HDAC4 316/4885

“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.