SCHEMBL1454865

SCHEMBL1454865

CC(C)(C)OC(=O)Nc1ccc(Oc2ccc(NC(=O)c3cc(F)cc(C(F)(F)F)c3)cc2N)cc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 5/20 0.44
HDAC3 O15379 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
BRAF P15056 1/20 0.41
HDAC1 Q13547 1/20 0.41
CSF1R P07333 1/20 0.40
TLR7 Q9NYK1 2/20 0.40
SCN8A Q9UQD0 2/20 0.40
SCN10A Q9Y5Y9 2/20 0.40
PTGS1 P23219 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
SCHEMBL1455972 0.94 HDAC3 (0.46) TLR8HDAC3HDAC8HDAC6KDM4E
SCHEMBL1454431 0.85 TRPV1 (0.50) HDAC3HDAC8HDAC6KDM4EMAPT
SCHEMBL1455709 0.83 RXFP1 (0.54) KDM4EMAPTRAB9ASMN1; SMN2RXFP1
SCHEMBL1455101 0.82 PNLIP (0.46) BRAFHDAC1
SCHEMBL1455377 0.82 KMT2A (0.54) HDAC3HDAC8HDAC6NPC1RAB9A
SCHEMBL1455609 0.81 RAB9A (0.55) HDAC3HDAC8HDAC6KDM4EMAPT
SCHEMBL1454986 0.81 NAMPT (0.47) KDM4EMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL1456184 0.80 SCN8A (0.49) TLR8BRAFHDAC1SCN8ASCN10A
SCHEMBL1455064 0.79 PGR (0.43) HDAC3HDAC8HDAC6MAPTBRAF
SCHEMBL1456101 0.79 PNLIP (0.56) TLR8KDM4EMAPTNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1979348-B1 ANTI-VIRAL COMPOUNDS ABBOTT LAB (US) 2012-01-18 EP disclosed
US-7910595-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2011-03-22 US disclosed
EP-1979348-A2 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2008-10-15 EP disclosed
US-20070232627-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. 2007-10-04 US disclosed
WO-2007076034-A2 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2007-07-05 WO 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-20070232627-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 TLR8 1172/4885HDAC3 380/4885HDAC8 1233/4885

“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.