SCHEMBL4568475

SCHEMBL4568475

COC(=O)c1cccc(Cc2c(-c3cccc(OC)c3)[nH]c3cc(C4CC4)ccc23)n1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 4/20 0.45
TLR7 Q9NYK1 3/20 0.45
TLR8 Q9NR97 3/20 0.41
CHRM4 P08173 2/20 0.39
DRD2 P14416 2/20 0.39
HTR7 P34969 2/20 0.39
JAK2 O60674 1/20 0.39
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
MAPT P10636 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
PARP1 P09874 1/20 0.37

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
SCHEMBL4568586 0.92 TLR9 (0.44) TLR9TLR7CHRM4DRD2HTR7
SCHEMBL4568428 0.91 TLR9 (0.41) TLR9TLR7TLR8MTNR1AMTNR1B
SCHEMBL4568192 0.89 KDM4E (0.42) CHRM4DRD2HTR7JAK2MTNR1A
SCHEMBL4568498 0.87 TLR9 (0.43) TLR9TLR7TLR8MTNR1AMTNR1B
SCHEMBL4568473 0.87 TLR9 (0.41) TLR9TLR7TLR8MAPTPARP1
SCHEMBL4568427 0.86 TUBB4A (0.46)
SCHEMBL4568483 0.86 TLR9 (0.42) TLR9TLR7TLR8MAPTKMT2A
SCHEMBL3706006 0.84 MTNR1A (0.48) HTR7MTNR1AMTNR1BALDH1A1HPGD
SCHEMBL4568175 0.83 PTGS2 (0.42) MTNR1AMTNR1BMAPTMEN1KMT2A
SCHEMBL4568432 0.82 PLA2G2A (0.40) JAK2MTNR1AMTNR1BMAPTMEN1

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-20120122931-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-05-17 US disclosed
US-20120122931-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-05-17 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-20120122931-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF PTGER1, CYSLTR1, LTB4R TLR9 1840/4885TLR7 1083/4885TLR8 1396/4885

“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.