SCHEMBL23660437

SCHEMBL23660437

Cc1cc(C2CCC(O)CC2)ccn1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.48
ESR2 Q92731 2/20 0.44
TLR7 Q9NYK1 14/20 0.41
TLR8 Q9NR97 13/20 0.41
TLR9 Q9NR96 13/20 0.41
USP30 Q70CQ3 1/20 0.41
UHRF1 Q96T88 1/20 0.41
PROKR1 Q8TCW9 1/20 0.38

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
SCHEMBL22730013 1.00 IDO1 (0.48) IDO1ESR2TLR7TLR8TLR9
SCHEMBL22730012 1.00 IDO1 (0.48) IDO1ESR2TLR7TLR8TLR9
SCHEMBL9277352 0.91 IDO1 (0.50) IDO1TLR7TLR8TLR9USP30
Bicarbonate SCHEMBL9280862 0.86 IDO1 (0.54) IDO1TLR7TLR8TLR9USP30
Cyanide SCHEMBL27912025 0.85 IDO1 (0.47) IDO1TLR7TLR8TLR9USP30
SCHEMBL12093743 0.83 IDO1 (0.45) IDO1TLR7TLR8TLR9USP30
SCHEMBL12093732 0.83 IDO1 (0.45) IDO1TLR7TLR8TLR9USP30
SCHEMBL21187181 0.82 IDO1 (0.45) IDO1TLR7TLR8TLR9USP30
SCHEMBL30209450 0.82 IDO1 (0.45) IDO1TLR7TLR8TLR9USP30
SCHEMBL22402327 0.81 IDO1 (0.44) IDO1TLR7TLR8TLR9USP30

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110092750-B Pentafluoro sulfanyl substituted amide compound, preparation method and application thereof in medicine 北京诺诚健华医药科技有限公司 2023-07-21 CN disclosed
CN-112334458-B 3-indazolinone compound, preparation method and application thereof in medicine and pharmacology 北京诺诚健华医药科技有限公司 2022-11-08 CN disclosed
US-20210221808-A1 3-OXAZOLINONE COMPOUND, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL APPLICATION THEREOF BEIJING INNOCARE PHARMA TECH CO., LTD. (CN) 2021-07-22 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-20210221808-A1 3-OXAZOLINONE COMPOUND, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL APPLICATION THEREOF IDO1, IDO2, INMT IDO1 1/4885ESR2 4775/4885TLR7 758/4885

“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.