SCHEMBL3293594

SCHEMBL3293594

CN1CCc2nc(OCc3ccc4c(c3)OCCN4C)c(NS(=O)(=O)c3cccc(Cl)c3Cl)cc2C1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.44
▸ PTGES2 Q9H7Z7 1/20 0.39
▸ CCR4 P51679 8/20 0.39
▸ EIF2AK3 Q9NZJ5 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ LMNA P02545 2/20 0.34
▸ SCN5A Q14524 1/20 0.34
▸ SCN9A Q15858 1/20 0.34
▸ THRB P10828 1/20 0.34
▸ PDE10A Q9Y233 1/20 0.34

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
SCHEMBL3296668 0.94 TP53 (0.43) TP53PTGES2EIF2AK3ALDH1A1LMNA
SCHEMBL3294587 0.94 TP53 (0.49) TP53PTGES2CCR4EIF2AK3ALDH1A1
SCHEMBL3295677 0.89 TP53 (0.47) TP53PTGES2CCR4LMNATHRB
SCHEMBL3293215 0.87 PTGES2 (0.41) TP53PTGES2EIF2AK3ALDH1A1LMNA
SCHEMBL3295404 0.86 TP53 (0.53) TP53PTGES2CCR4EIF2AK3LMNA
SCHEMBL3293040 0.85 TP53 (0.52) TP53PTGES2CCR4EIF2AK3LMNA
SCHEMBL3293335 0.85 TP53 (0.47) TP53PTGES2CCR4EIF2AK3SCN5A
SCHEMBL3294821 0.85 KMT2A (0.43) PTGES2EIF2AK3ALDH1A1LMNATHRB
SCHEMBL3291801 0.84 TP53 (0.48) TP53PTGES2CCR4EIF2AK3LMNA
SCHEMBL3293992 0.84 CCR4 (0.47) TP53CCR4

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
US-20100266539-A1 CHEMOKINE RECEPTOR ANTAGONIST AND MEDICAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2010-10-21 — — US disclosed
US-7732442-B2 Chemokine receptor antagonist and medical use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2010-06-08 — — US disclosed
US-20070254886-A1 Chemokine Receptor Antagonist and Medical Use Thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2007-11-01 — — US disclosed
EP-1661889-A1 CHEMOKINE RECEPTOR ANTAGONIST AND MEDICAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2006-05-31 — — 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 (2 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-20100266539-A1 CHEMOKINE RECEPTOR ANTAGONIST AND MEDICAL USE THEREOF CCR5, CCR4, CCR1 TP53 2581/4885PTGES2 1314/4885CCR4 2/4885
US-20070254886-A1 Chemokine Receptor Antagonist and Medical Use Thereof CCR5, CCR4, CCR1 TP53 2581/4885PTGES2 1314/4885CCR4 2/4885

“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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