SCHEMBL17868833

SCHEMBL17868833

CCCC(=O)c1c(C)ccc(C(N)=O)c1C1CCNC1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 4/20 0.39
TLR9 Q9NR96 1/20 0.35
TLR8 Q9NR97 1/20 0.35
TLR7 Q9NYK1 1/20 0.35
SLC6A2 P23975 3/20 0.34
SLC6A4 P31645 3/20 0.34
SLC6A3 Q01959 1/20 0.34
IRAK4 Q9NWZ3 5/20 0.34
RPS6KB1 P23443 2/20 0.34
BTK Q06187 2/20 0.34

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
SCHEMBL17868812 0.93 PARP1 (0.38) PARP1SLC6A2SLC6A4
SCHEMBL22611791 0.84 PARP1 (0.40) PARP1SLC6A2SLC6A4IRAK4RPS6KB1
SCHEMBL17868824 0.80 PARP1 (0.42) PARP1BTK
SCHEMBL29057838 0.77 PARP1 (0.38) PARP1SLC6A2SLC6A4
SCHEMBL22611822 0.75 PARP1 (0.50) PARP1SLC6A2SLC6A4SLC6A3IRAK4
SCHEMBL5808501 0.72 HTR2C (0.44) PARP1TLR9TLR8TLR7
SCHEMBL17868822 0.71 PARP1 (0.48) PARP1SLC6A2SLC6A4SLC6A3RPS6KB1
SCHEMBL22611651 0.71 PLAT (0.40) PARP1TLR9TLR8TLR7SLC6A2
SCHEMBL17868811 0.70 PARP1 (0.45) PARP1SLC6A2SLC6A4SLC6A3IRAK4
SCHEMBL22611799 0.70 PARP1 (0.36) PARP1SLC6A2SLC6A4SLC6A3IRAK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170135994-A9 NAMPT INHIBITORS ABBVIE INC. (US) 2017-05-18 US disclosed
US-20160184282-A1 NAMPT INHIBITORS ABBVIE INC. (US) 2016-06-30 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-20160184282-A1 NAMPT INHIBITORS NAMPT, NNMT, NAPRT PARP1 1174/4885TLR9 3933/4885TLR8 4230/4885
US-20170135994-A9 NAMPT INHIBITORS NAMPT, NNMT, NAPRT PARP1 1174/4885TLR9 3933/4885TLR8 4230/4885

“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.