SCHEMBL24667446

SCHEMBL24667446

COc1ccc(COc2ccc3c(c2)CN(c2ccc(=O)n(C)n2)C3)nc1F

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 7/20 0.33
▸ TIPARP Q7Z3E1 4/20 0.33
▸ PTGS2 P35354 1/20 0.33
▸ GPX4 P36969 1/20 0.32
▸ PDE10A Q9Y233 1/20 0.32
▸ NMT1 P30419 1/20 0.32
▸ CYP19A1 P11511 1/20 0.32
▸ LMNA P02545 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ ALOX5AP P20292 1/20 0.31

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
SCHEMBL17541791 0.85 GRM5 (0.40) MCHR1TIPARPPDE10A
SCHEMBL24667447 0.85 HTR2C (0.35) MCHR1PDE10A
SCHEMBL23562064 0.79 GRM5 (0.42) MCHR1TIPARPPDE10ANMT1
SCHEMBL17541808 0.78 TIPARP (0.48) TIPARPLMNAMAPT
SCHEMBL24667432 0.70 PIK3CG (0.37) —
SCHEMBL29987525 0.70 PIK3CG (0.39) —
SCHEMBL24667650 0.70 PIK3CG (0.39) —
SCHEMBL29987232 0.70 PIK3CG (0.37) —
SCHEMBL24667632 0.70 GRM5 (0.42) MCHR1PDE10A
SCHEMBL24667346 0.70 GRM5 (0.42) MCHR1PDE10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220339302-A1 ISOINDOLINONE COMPOUNDS AND IMAGING AGENTS FOR IMAGING HUNTINGTIN PROTEIN CHDI FOUNDATION, INC. 2022-10-27 — — 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-20220339302-A1 ISOINDOLINONE COMPOUNDS AND IMAGING AGENTS FOR IMAGING HUNTINGTIN PROTEIN HTT, HYPK, HSPBP1 MCHR1 1633/4885TIPARP 540/4885PTGS2 4084/4885

“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.

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