SCHEMBL4568488

SCHEMBL4568488

COC(=O)c1cccc(Cc2c(C(C)(C)C)[nH]c3cc(C4CC4)ccc23)n1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.40
TLR9 Q9NR96 4/20 0.37
TLR8 Q9NR97 4/20 0.37
TLR7 Q9NYK1 3/20 0.37
MRGPRX4 Q96LA9 2/20 0.36
RAB9A P51151 1/20 0.35
BCHE P06276 1/20 0.35
ACHE P22303 1/20 0.35
PDK2 Q15119 1/20 0.35
PDK4 Q16654 1/20 0.35
NR3C1 P04150 1/20 0.34
IDH1 O75874 1/20 0.34
NR1H4 Q96RI1 1/20 0.34
KLKB1 P03952 1/20 0.33
ITK Q08881 1/20 0.33

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
SCHEMBL4568592 0.89 ENPP2 (0.39) NR3C1
SCHEMBL4568099 0.85 MAPT (0.43) PARP1MRGPRX4RAB9AIDH1
SCHEMBL4568428 0.85 TLR9 (0.41) PARP1TLR9TLR8TLR7NR3C1
SCHEMBL4568117 0.84 MRGPRX4 (0.49) PARP1MRGPRX4RAB9AIDH1
SCHEMBL4568119 0.84 PARP1 (0.42) PARP1MRGPRX4RAB9AIDH1
SCHEMBL4568473 0.83 TLR9 (0.41) PARP1TLR9TLR8TLR7
SCHEMBL4568475 0.82 TLR9 (0.45) PARP1TLR9TLR8TLR7
SCHEMBL4568482 0.82 PARP1 (0.46) PARP1MRGPRX4RAB9AIDH1
SCHEMBL4568491 0.82 PRMT5 (0.40) PARP1MRGPRX4RAB9A
SCHEMBL4568498 0.82 TLR9 (0.43) PARP1TLR9TLR8TLR7

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 PARP1 2429/4885TLR9 1840/4885TLR8 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.