SCHEMBL23555582

SCHEMBL23555582

O=C1OC[C@@H]2C[C@@H](Oc3cc4c(=O)n(Cc5ccc(Cl)cc5)ccc4nc3-c3cnco3)CCN12

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 5/20 0.33
▸ MAPT P10636 3/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ EGFR P00533 2/20 0.31
▸ TP53 P04637 1/20 0.31
▸ DRD2 P14416 2/20 0.31
▸ DRD4 P21917 2/20 0.31
▸ DRD3 P35462 2/20 0.31
▸ MAOA P21397 1/20 0.30
▸ MAOB P27338 1/20 0.30

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
SCHEMBL23555560 0.88 TP53 (0.41) LMNAEGFRTP53
SCHEMBL23555583 0.85 MAPT (0.37) LMNAMAPTTP53
SCHEMBL23555570 0.85 PDE5A (0.38) EGFRTP53
SCHEMBL23555449 0.84 PIK3CD (0.32) LMNAMAPTTP53
SCHEMBL23555297 0.84 MAPT (0.34) LMNAMAPTTP53MAOAMAOB
SCHEMBL23555451 0.82 MAPT (0.34) LMNAMAPTTP53
SCHEMBL23555294 0.81 PDE1A (0.41) LMNAMAPTKDM4EALDH1A1HPGD
SCHEMBL23555759 0.81 CCR8 (0.37) LMNAMAPTTP53MAOAMAOB
SCHEMBL23555313 0.79 MAOA (0.35) LMNAMAPTTP53MAOAMAOB
SCHEMBL23555511 0.77 SCN9A (0.34) EGFRTP53MAOAMAOB

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-20230054782-A1 BICYCLIC HETEROCYCLE COMPOUNDS METHODS OF USE THEREOF FOR THE TREATMENT OF HERPES VIRUSES MERCK SHARP & DOHME LLC (US) 2023-02-23 — — US disclosed
WO-2021127071-A1 BICYCLIC HETEROCYCLE COMPOUNDS METHODS OF USE THEREOF FOR THE TREATMENT OF HERPES VIRUSES MERCK SHARP & DOHME CORP. (US) 2021-06-24 — — WO 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-20230054782-A1 BICYCLIC HETEROCYCLE COMPOUNDS METHODS OF USE THEREOF FOR THE TREATMENT OF HERPES VIRUSES ZC3HAV1, HDAC11, CXCR1 LMNA 1596/4885MAPT 3926/4885KDM4E 359/4885

“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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