SCHEMBL4568330

SCHEMBL4568330

COC(=O)c1cccc(C(O)c2c(-c3cccnc3)[nH]c3cc(C4CC4)ccc23)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 11/20 0.40
TLR7 Q9NYK1 9/20 0.40
TLR9 Q9NR96 8/20 0.40
NR4A2 P43354 1/20 0.38
TUBB4A P04350 1/20 0.38
TUBB P07437 1/20 0.38
TUBA3C P0DPH7 1/20 0.38
TUBA1B P68363 1/20 0.38
TUBA4A P68366 1/20 0.38
TUBB4B P68371 1/20 0.38
TUBB3 Q13509 1/20 0.38
TUBB2A Q13885 1/20 0.38
TUBB8 Q3ZCM7 1/20 0.38
TUBA3E Q6PEY2 1/20 0.38
TUBA1A Q71U36 1/20 0.38
TUBA1C Q9BQE3 1/20 0.38
TUBB6 Q9BUF5 1/20 0.38
TUBB2B Q9BVA1 1/20 0.38
TUBB1 Q9H4B7 1/20 0.38
NEK1 Q96PY6 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
SCHEMBL4568324 0.87 NR4A2 (0.41) TLR8TLR7TLR9NR4A2TUBB4A
SCHEMBL4568345 0.87 PDK2 (0.38) TLR8TLR7TLR9NR4A2TUBB4A
SCHEMBL4568333 0.86 TLR8 (0.38) TLR8TLR7TLR9NR4A2TUBB4A
SCHEMBL4568323 0.85 NR4A2 (0.41) TLR8TLR7TLR9NR4A2TUBB4A
SCHEMBL4568325 0.84 MAPT (0.39) TLR8TLR7TLR9NR4A2TUBB4A
SCHEMBL4568329 0.84 KDM4E (0.41) NR4A2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL4568331 0.82 NR4A2 (0.39) TLR8TLR7TLR9NR4A2TUBB4A
SCHEMBL4568327 0.82 TUBB4A (0.44) TLR8TLR7TLR9NR4A2TUBB4A
SCHEMBL4568342 0.82 TLR8 (0.40) TLR8TLR7TLR9NR4A2TUBB4A
SCHEMBL4568322 0.82 TLR8 (0.40) TLR8TLR7TLR9NR4A2TUBB4A

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 TLR8 1396/4885TLR7 1083/4885TLR9 1840/4885

“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.