SCHEMBL964854

SCHEMBL964854

CCCCNS(=O)(=O)NC(=O)/C=C/c1c(C)nn(C)c1-n1ccc2ccccc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.37
TLR7 Q9NYK1 1/20 0.37
PHGDH O43175 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
RAB9A P51151 1/20 0.34
HTT P42858 2/20 0.33
HDAC3 O15379 3/20 0.32
HDAC1 Q13547 3/20 0.32
MAPT P10636 3/20 0.32
LMNA P02545 2/20 0.32
HTR2B P41595 1/20 0.32
PTPN1 P18031 1/20 0.32
HDAC4 P56524 2/20 0.32
HDAC7 Q8WUI4 2/20 0.32
HDAC2 Q92769 2/20 0.32
HDAC10 Q969S8 2/20 0.32
HDAC11 Q96DB2 2/20 0.32
HDAC8 Q9BY41 2/20 0.32

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
SCHEMBL964855 1.00 TLR8 (0.37) TLR8TLR7PHGDHSMN1; SMN2NPC1
SCHEMBL962092 0.95 PHGDH (0.36) TLR8TLR7PHGDHSMN1; SMN2NPC1
SCHEMBL962094 0.95 PHGDH (0.36) TLR8TLR7PHGDHSMN1; SMN2NPC1
SCHEMBL965547 0.90 HDAC1 (0.33) HDAC3HDAC1MAPTLMNAHDAC4
SCHEMBL965545 0.90 HDAC1 (0.33) HDAC3HDAC1MAPTLMNAHDAC4
SCHEMBL962644 0.89 HDAC1 (0.37) HDAC3HDAC1MAPTHDAC4HDAC7
SCHEMBL966874 0.89 HDAC1 (0.33) SMN1; SMN2ALDH1A1HDAC1GAA
SCHEMBL962640 0.89 HDAC1 (0.37) HDAC3HDAC1MAPTHDAC4HDAC7
SCHEMBL966872 0.89 HDAC1 (0.33) SMN1; SMN2ALDH1A1HDAC1GAA
SCHEMBL966100 0.88 HDAC1 (0.33) ALDH1A1HDAC3HDAC1HDAC4HDAC7

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-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA TAKEDA PHARMACEUTICAL COMPANY LIMITED 2011-01-13 US disclosed
EP-2118066-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA Takeda Pharmaceutical Company Limited (JP) 2009-11-18 EP disclosed
WO-2008099794-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-08-21 WO 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 TLR8 1701/4885TLR7 1117/4885PHGDH 1137/4885
US-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA PPARA, PPARD, PPARG TLR8 462/4885TLR7 168/4885PHGDH 1142/4885

“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.