SCHEMBL4553637

SCHEMBL4553637

Cc1ccccc1-c1c(C(=O)O)c(N)nc2ccc(C3CCNCC3)cc12

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 1/20 0.43
TLR9 Q9NR96 10/20 0.40
TLR8 Q9NR97 10/20 0.40
SOS1 Q07889 2/20 0.39
DHODH Q02127 1/20 0.39
CYP1A2 P05177 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TLR7 Q9NYK1 9/20 0.38
GABRA1 P14867 1/20 0.37
GABRB2 P47870 1/20 0.37
FABP4 P15090 1/20 0.36
FABP5 Q01469 1/20 0.36
EGLN1 Q9GZT9 1/20 0.36
HTR2C P28335 1/20 0.36
CAMK2D Q13557 1/20 0.36

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
SCHEMBL4553632 0.84 TBK1 (0.41) TBK1TLR9TLR8SOS1DHODH
SCHEMBL4360509 0.77 ADORA2A (0.49) DHODHCYP1A2HSD17B10
SCHEMBL4553634 0.71 HTR2C (0.40) DHODHGABRA1GABRB2FABP4FABP5
SCHEMBL27533882 0.68 MYC (0.42) DHODHHSD17B10
SCHEMBL24108930 0.66 TLR9 (0.43) TLR9TLR8DHODHCYP1A2HSD17B10
SCHEMBL24108914 0.66 ADORA2A (0.42) TLR9SOS1DHODHCYP1A2GABRA1
SCHEMBL13646142 0.65 ACMSD (0.50) TBK1TLR9TLR8DHODHTLR7
SCHEMBL18089277 0.65 PTGFR (0.66) DHODH
Isopropylamine SCHEMBL27533884 0.65 MYC (0.39) DHODH
SCHEMBL18075804 0.63 DHODH (0.69) DHODH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090270450-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2009-10-29 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-20090270450-A1 CHEMICAL COMPOUNDS CSF1R, CSF3R, FLT3 TBK1 616/4885TLR9 3258/4885TLR8 3297/4885

“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.