SCHEMBL3355786

SCHEMBL3355786

CCOC(=O)C1CNc2cc(Cl)cc(Br)c2O1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.38
MAOB P27338 1/20 0.37
SIRT2 Q8IXJ6 6/20 0.36
MEN1 O00255 5/20 0.35
KMT2A Q03164 5/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL3358610 0.82 VCAM1 (0.39) POLBMEN1KMT2AALDH1A1MAPT
SCHEMBL13331597 0.81 SIRT2 (0.34) SIRT2
SCHEMBL3207330 0.81 TDP1 (0.43) POLBMEN1KMT2AALDH1A1CYP4F2
SCHEMBL3355122 0.79 POLB (0.40) POLBMEN1KMT2AALDH1A1CYP4F2
SCHEMBL30015153 0.79 POLB (0.40) POLBMEN1KMT2AALDH1A1CYP4F2
SCHEMBL3353094 0.78 POLB (0.55) POLBMEN1KMT2AALDH1A1CYP4F2
SCHEMBL29527171 0.78 POLB (0.55) POLBMEN1KMT2AALDH1A1CYP4F2
SCHEMBL7817324 0.76 POLB (0.52) POLBMEN1KMT2AALDH1A1CYP4F2
SCHEMBL29853923 0.76 POLB (0.52) POLBMEN1KMT2AALDH1A1CYP4F2
SCHEMBL11562786 0.76 TDP1 (0.42) POLBMEN1KMT2AALDH1A1HPGD

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
WO-2010068881-A1 NOVEL BENZODIOXANE AND BENZOXAZINE DERIVATIVES USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-06-17 WO disclosed
WO-2010068881-A1 NOVEL BENZODIOXANE AND BENZOXAZINE DERIVATIVES USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-06-17 WO disclosed
US-20100152160-A1 NOVEL BENZODIOXANE AND BENZOXAZINE DERIVATIVES USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS KHAMRAI UTTAM 2010-06-17 US disclosed
US-20100152160-A1 NOVEL BENZODIOXANE AND BENZOXAZINE DERIVATIVES USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS KHAMRAI UTTAM 2010-06-17 US disclosed
US-20100152160-A1 NOVEL BENZODIOXANE AND BENZOXAZINE DERIVATIVES USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS KHAMRAI UTTAM 2010-06-17 US 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-20100152160-A1 NOVEL BENZODIOXANE AND BENZOXAZINE DERIVATIVES USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS CCR1, CCR4, CCR5 POLB 3780/4885MAOB 4077/4885SIRT2 2760/4885

“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.