SCHEMBL1455064

SCHEMBL1455064

Cc1cc(NC(=O)c2ccc(Oc3ccc(NC(=O)OC(C)(C)C)cc3)c(N)c2)ccc1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.43
AR P10275 1/20 0.43
NAMPT P43490 1/20 0.42
BRAF P15056 5/20 0.42
HDAC1 Q13547 5/20 0.42
KCNQ3 O43525 1/20 0.41
KCNQ2 O43526 1/20 0.41
KCNE1 P15382 1/20 0.41
KCNQ1 P51787 1/20 0.41
MAPT P10636 3/20 0.40
TP53 P04637 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
HDAC3 O15379 3/20 0.39
HDAC4 P56524 3/20 0.39
HDAC7 Q8WUI4 3/20 0.39
HDAC2 Q92769 3/20 0.39
HDAC10 Q969S8 3/20 0.39
HDAC11 Q96DB2 3/20 0.39
HDAC8 Q9BY41 3/20 0.39
HDAC6 Q9UBN7 3/20 0.39

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
SCHEMBL1454267 0.88 NPC1 (0.47) NAMPTBRAFHDAC1MAPTTP53
SCHEMBL1455222 0.88 MAOB (0.44) NAMPTBRAFHDAC1KCNQ3KCNQ2
SCHEMBL1454986 0.86 NAMPT (0.47) NAMPTBRAFHDAC1MAPT
SCHEMBL1454431 0.85 TRPV1 (0.50) NAMPTBRAFHDAC1MAPTHDAC3
SCHEMBL1453961 0.85 NAMPT (0.46) NAMPTBRAFHDAC1MAPTTP53
SCHEMBL1455709 0.83 RXFP1 (0.54) BRAFMAPTLMNA
SCHEMBL1455609 0.83 RAB9A (0.55) NAMPTBRAFHDAC1MAPTTP53
SCHEMBL1455827 0.83 NAMPT (0.47) PGRARNAMPTBRAFHDAC1
SCHEMBL1456027 0.82 KCNK3 (0.48) PGRARBRAFHDAC1MAPT
SCHEMBL1455101 0.82 PNLIP (0.46) NAMPTBRAFHDAC1PNLIP

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 PGR 2427/4885AR 3318/4885NAMPT 935/4885

“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.