SCHEMBL23555560

SCHEMBL23555560

O=C1OC[C@@H]2C[C@@H](Oc3cc4c(=O)n(Cc5ccc(Cl)cc5)cnc4nc3-c3cnco3)CCN12

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.41
▸ TRPA1 O75762 10/20 0.36
▸ LMNA P02545 2/20 0.36
▸ PDE5A O76074 2/20 0.33
▸ SLC2A1 P11166 1/20 0.31
▸ EGFR P00533 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
SCHEMBL23555582 0.88 LMNA (0.33) TP53LMNAEGFR
SCHEMBL23555559 0.87 TP53 (0.46) TP53TRPA1LMNAPDE5ASLC2A1
SCHEMBL23555570 0.87 PDE5A (0.38) TP53TRPA1PDE5ASLC2A1EGFR
SCHEMBL25068823 0.85 TP53 (0.39) TP53TRPA1LMNAPDE5A
SCHEMBL25069135 0.84 TP53 (0.41) TP53TRPA1LMNAPDE5ASLC2A1
SCHEMBL23555296 0.83 MAOA (0.33) TP53TRPA1PDE5ASLC2A1EGFR
SCHEMBL23555314 0.81 TP53 (0.42) TP53TRPA1LMNAPDE5A
SCHEMBL23555294 0.77 PDE1A (0.41) LMNAEGFR
SCHEMBL31715265 0.77 PDE5A (0.38) TP53TRPA1PDE5A
SCHEMBL23555584 0.77 PDE5A (0.40) PDE5ASLC2A1

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 TP53 499/4885TRPA1 3470/4885LMNA 1596/4885

“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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