SCHEMBL23555557

SCHEMBL23555557

O=c1c2cc(O)c(Cl)nc2ncn1Cc1ccc(Cl)cc1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.62
▸ SCD O00767 2/20 0.47
▸ LMNA P02545 2/20 0.46
▸ HDAC6 Q9UBN7 1/20 0.45
▸ VEGFA P15692 1/20 0.45
▸ EGLN1 Q9GZT9 1/20 0.45
▸ TRPA1 O75762 5/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ PDE5A O76074 1/20 0.43
▸ MMP13 P45452 1/20 0.42

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
SCHEMBL23555558 0.85 TP53 (0.62) TP53SCDLMNAHDAC6TRPA1
SCHEMBL23555555 0.84 TP53 (0.58) TP53SCDLMNAHDAC6TRPA1
SCHEMBL23555767 0.76 ALDH1A1 (0.55) LMNAHDAC6MEN1KMT2A
SCHEMBL23555556 0.75 TP53 (0.57) TP53SCDLMNAHDAC6TRPA1
SCHEMBL7003110 0.72 TP53 (0.53) TP53SCDLMNAHDAC6TRPA1
SCHEMBL7081478 0.71 TP53 (0.52) TP53SCDLMNAHDAC6TRPA1
SCHEMBL3358550 0.71 SCD (0.83) TP53SCDHDAC6TRPA1
SCHEMBL5532025 0.70 RAB9A (0.65) SCDMEN1KMT2A
SCHEMBL23535856 0.70 MAPK1 (0.48) TP53SCDLMNAHDAC6VEGFA
SCHEMBL31715259 0.69 SCD (0.48) TP53SCDHDAC6MEN1KMT2A

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 499/4885SCD 4673/4885LMNA 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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