SCHEMBL23797296

SCHEMBL23797296

CC1(C)OB(c2ccc3c(=O)n(C4CC4)ccc3c2)OC1(C)C

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.37
TDO2 P48775 1/20 0.37
DHODH Q02127 3/20 0.37
CSF1R P07333 1/20 0.35
PRMT5 O14744 1/20 0.35
WDR77 Q9BQA1 1/20 0.35
GRM4 Q14833 1/20 0.35
LPL P06858 8/20 0.35
LIPG Q9Y5X9 8/20 0.35
BACE1 P56817 3/20 0.34
ROCK1 Q13464 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.32

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
SCHEMBL30398620 0.83 USP30 (0.47) PRMT5WDR77BACE1
SCHEMBL31500593 0.82 LPL (0.38) LPLLIPGROCK1IRAK4
SCHEMBL31315352 0.80 IDO1 (0.40) IDO1TDO2CSF1RPRMT5WDR77
SCHEMBL16651441 0.80 IDO1 (0.40) IDO1TDO2CSF1RPRMT5WDR77
SCHEMBL20808708 0.80 PRMT5 (0.41) IDO1TDO2CSF1RPRMT5WDR77
SCHEMBL28669020 0.79 IRAK4 (0.42) DHODHLPLLIPGROCK1IRAK4
SCHEMBL22551912 0.79 DHODH (0.36) DHODHCSF1RPRMT5WDR77LPL
SCHEMBL28681721 0.78 PRMT5 (0.36) IDO1TDO2CSF1RPRMT5WDR77
SCHEMBL24145842 0.77 IDO1 (0.38) IDO1TDO2CSF1RPRMT5WDR77
SCHEMBL565362 0.77 GRM2 (0.39) LPLLIPGROCK1IRAK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113874354-B Pyridone derivative, preparation method thereof and application thereof in medicine 江苏恒瑞医药股份有限公司 2024-02-20 CN disclosed
CN-113874354-A Pyridone derivative, preparation method and medical application thereof 江苏恒瑞医药股份有限公司 2021-12-31 CN disclosed
US-20210403479-A1 INHIBITORS OF HISTONE DEACETYLASE USEFUL FOR THE TREATMENT OR PREVENTION OF HIV INFECTION MERCK SHARP & DOHME CORP. (US) 2021-12-30 US disclosed
EP-3876928-A2 INHIBITORS OF HISTONE DEACETYLASE USEFUL FOR THE TREATMENT OR PREVENTION OF HIV INFECTION Merck Sharp & Dohme Corp. (US) 2021-09-15 EP 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-20210403479-A1 INHIBITORS OF HISTONE DEACETYLASE USEFUL FOR THE TREATMENT OR PREVENTION OF HIV INFECTION HDAC1, HDAC11, HDAC3 IDO1 319/4885TDO2 3540/4885DHODH 608/4885

“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.