SCHEMBL1455827

SCHEMBL1455827

CC(C)(C)OC(=O)Nc1ccc(Oc2ccc(C(=O)Nc3cccc(Br)c3)cc2N)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.47
CDK8 P49336 1/20 0.45
BRAF P15056 6/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
MAPT P10636 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
STAT3 P40763 1/20 0.42
MAOB P27338 1/20 0.41
HDAC3 O15379 3/20 0.41
HDAC4 P56524 3/20 0.41
HDAC1 Q13547 3/20 0.41
HDAC7 Q8WUI4 3/20 0.41
HDAC2 Q92769 3/20 0.41
HDAC10 Q969S8 3/20 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
SCHEMBL1455122 0.93 BRAF (0.48) NAMPTCDK8BRAFSMN1; SMN2MAPT
SCHEMBL1453961 0.91 NAMPT (0.46) NAMPTBRAFMAPTMEN1KMT2A
SCHEMBL1454986 0.89 NAMPT (0.47) NAMPTCDK8BRAFSMN1; SMN2MAPT
SCHEMBL1455709 0.87 RXFP1 (0.54) CDK8BRAFSMN1; SMN2MAPTRAB9A
SCHEMBL1454267 0.86 NPC1 (0.47) NAMPTBRAFSMN1; SMN2MAPTNPC1
SCHEMBL1455222 0.86 MAOB (0.44) NAMPTBRAFSTAT3MAOBHDAC3
SCHEMBL15647108 0.84 NAMPT (0.62) NAMPTSMN1; SMN2MAPTNPC1RAB9A
SCHEMBL1456027 0.84 KCNK3 (0.48) BRAFMAPTNPC1RAB9AMEN1
SCHEMBL1455377 0.84 KMT2A (0.54) NAMPTBRAFSMN1; SMN2NPC1RAB9A
SCHEMBL1455635 0.84 AR (0.52) CDK8BRAFSMN1; SMN2MAPTNPC1

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 NAMPT 935/4885CDK8 160/4885BRAF 4226/4885

“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.