SCHEMBL4236814

SCHEMBL4236814

COC(=O)c1ccc(C(=O)c2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.73

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.73
▸ MEN1 O00255 1/20 0.71
▸ KMT2A Q03164 1/20 0.71
▸ SRD5A2 P31213 2/20 0.62
▸ LMNA P02545 1/20 0.61
▸ GAA P10253 1/20 0.61
▸ L3MBTL1 Q9Y468 1/20 0.59
▸ TDP1 Q9NUW8 2/20 0.58
▸ ALDH1A1 P00352 2/20 0.58
▸ MAPT P10636 1/20 0.58
▸ MAPK1 P28482 2/20 0.57
▸ ALOX5 P09917 1/20 0.56
▸ CES1 P23141 1/20 0.55
▸ CA1 P00915 2/20 0.53
▸ CA2 P00918 2/20 0.53
▸ TSHR P16473 1/20 0.52

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
SCHEMBL306161 0.94 POLB (0.81) POLBMEN1KMT2ATDP1ALDH1A1
Iodide SCHEMBL22235392 0.93 POLB (0.78) POLBMEN1KMT2ATDP1ALDH1A1
SCHEMBL3021443 0.89 POLB (0.73) POLBMEN1KMT2AGAATDP1
SCHEMBL31504041 0.86 POLB (0.69) POLBMEN1KMT2ASRD5A2ALDH1A1
Sulfamide SCHEMBL27805329 0.86 POLB (0.79) POLBMEN1KMT2AGAATDP1
4-Nitrobenzoic Acid SCHEMBL27562391 0.86 TDP1 (0.70) POLBMEN1KMT2ASRD5A2TDP1
SCHEMBL27396578 0.86 POLB (0.79) POLBMEN1KMT2AGAATDP1
SCHEMBL14659792 0.85 POLB (0.68) POLBMEN1KMT2AALDH1A1MAPT
SCHEMBL12973292 0.85 POLB (0.68) POLBMEN1KMT2AALDH1A1MAPT
SCHEMBL7450958 0.85 POLB (0.77) POLBMEN1KMT2AGAATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7491735-B2 Chemokine receptor binding compounds GENZYME CORPORATION (US) 2009-02-17 — — US disclosed
EP-1708703-A4 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC (CA) 2008-04-09 — — EP disclosed
EP-1708703-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2006-10-11 — — EP disclosed
US-20050277670-A1 Chemokine receptor binding compounds ANORMED INC. 2005-12-15 — — US disclosed
WO-2005059107-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2005-06-30 — — 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-20050277670-A1 Chemokine receptor binding compounds CCR5, CXCR3, CCL5 POLB 3133/4885MEN1 4855/4885KMT2A 4728/4885

“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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