SCHEMBL4900473

SCHEMBL4900473

Cc1[nH]c2ncccc2c1-c1ccnc2cc(Cl)ccc12

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.46
NR4A2 P43354 4/20 0.43
PTGDR2 Q9Y5Y4 3/20 0.43
PTGS1 P23219 1/20 0.42
THRB P10828 2/20 0.41
TGFBR1 P36897 2/20 0.41
MAPK14 Q16539 2/20 0.41
SOS2 Q07890 1/20 0.41
CYP1A2 P05177 1/20 0.41
MAPT P10636 2/20 0.40
KMT2A Q03164 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
MEN1 O00255 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GRM4 Q14833 1/20 0.40
LATS1 O95835 1/20 0.40
LATS2 Q9NRM7 1/20 0.40
CHKA P35790 1/20 0.40
CCR1 P32246 1/20 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
SCHEMBL857726 0.82 TNKS (0.46) L3MBTL1LATS1LATS2
SCHEMBL317371 0.78 PTGDR2 (0.52) TLR8NR4A2PTGDR2PTGS1THRB
SCHEMBL2961240 0.76 MAP3K14 (0.48) TLR8NR4A2PTGDR2PTGS1SOS2
SCHEMBL859051 0.75 NPY5R (0.47) TGFBR1
SCHEMBL2962412 0.73 PTGS2 (0.46) TLR8PTGDR2PTGS1
SCHEMBL2954873 0.72 TLR8 (0.44) TLR8NR4A2PTGDR2PTGS1THRB
SCHEMBL2962434 0.72 TLR8 (0.44) TLR8NR4A2PTGDR2PTGS1THRB
SCHEMBL15397130 0.72 GSK3B (0.48) MAPTLATS1LATS2
SCHEMBL317795 0.71 HTR2A (0.46) TLR8PTGDR2PTGS1MAPTKMT2A
SCHEMBL12365113 0.70 TLR8 (0.58) TLR8NR4A2PTGDR2THRBSOS2

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-20080027092-A1 1-Acetic Acid-Indole, -Indazole and -Benzimidazole Derivatives Useful for the Treatment of Respiratory Disorders ASTRAZENECA AB (SE) 2008-01-31 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-20080027092-A1 1-Acetic Acid-Indole, -Indazole and -Benzimidazole Derivatives Useful for the Treatment of Respiratory Disorders IDO1, ABAT, ECI1 TLR8 3672/4885NR4A2 3352/4885PTGDR2 736/4885

“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.