SCHEMBL1455972

SCHEMBL1455972

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

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
RHOC P08134 1/20 0.44
RHOA P61586 1/20 0.44
MAPT P10636 2/20 0.43
KDM4E B2RXH2 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
TLR8 Q9NR97 2/20 0.43
PTGS1 P23219 3/20 0.42
RAB9A P51151 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
BRAF P15056 2/20 0.42
TRPV1 Q8NER1 2/20 0.41
NAMPT P43490 1/20 0.41
RAF1 P04049 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL1454865 0.94 TLR8 (0.44) HDAC3HDAC8HDAC6MAPTKDM4E
SCHEMBL1454431 0.89 TRPV1 (0.50) HDAC3HDAC8HDAC6MAPTKDM4E
SCHEMBL1455709 0.87 RXFP1 (0.54) MAPTKDM4ERXFP1PTGS1RAB9A
SCHEMBL1455101 0.86 PNLIP (0.46) BRAFNAMPT
SCHEMBL1455377 0.85 KMT2A (0.54) HDAC3HDAC8HDAC6RAB9ABRAF
SCHEMBL1455609 0.85 RAB9A (0.55) HDAC3HDAC8HDAC6MAPTKDM4E
SCHEMBL1456027 0.82 KCNK3 (0.48) HDAC3HDAC8HDAC6MAPTKDM4E
SCHEMBL1454267 0.81 NPC1 (0.47) HDAC3HDAC8HDAC6MAPTKDM4E
SCHEMBL1456181 0.81 AR (0.58) KDM4ERXFP1RAB9AMAPK1
SCHEMBL1455846 0.81 PTGS1 (0.52) MAPTKDM4ERXFP1PTGS1TRPV1

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 3 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
US-20070232627-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. 2007-10-04 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-20070232627-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 HDAC3 380/4885HDAC8 1233/4885HDAC6 55/4885

“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.