SCHEMBL3353292

SCHEMBL3353292

O=C(O)C1CN(Cc2ccccc2)c2cc(Cl)ccc2O1

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.62
SIRT1 Q96EB6 13/20 0.61
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
SIRT2 Q8IXJ6 12/20 0.50
MAPT P10636 1/20 0.50
CHRM1 P11229 1/20 0.48
TP53 P04637 1/20 0.46
GAA P10253 1/20 0.46

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
SCHEMBL22777623 0.86 POLB (0.60) POLBSIRT1MEN1KMT2AMAPT
SCHEMBL10928480 0.85 SIRT1 (0.82) SIRT1SIRT2
SCHEMBL3359121 0.85 POLB (0.66) POLBSIRT1MEN1KMT2ASIRT2
SCHEMBL16843811 0.82 SIRT1 (0.64) POLBSIRT1MEN1KMT2ASIRT2
SCHEMBL18143353 0.82 SIRT1 (0.64) POLBSIRT1MEN1KMT2ASIRT2
SCHEMBL18581200 0.81 SIRT1 (0.65) POLBSIRT1SIRT2
SCHEMBL22397094 0.80 POLB (0.54) POLBMEN1KMT2AMAPT
SCHEMBL29527101 0.80 POLB (0.66) POLBMEN1KMT2AMAPTTP53
SCHEMBL3355665 0.80 POLB (0.66) POLBMEN1KMT2AMAPTTP53
SCHEMBL23420339 0.79 SIRT1 (0.51) POLBSIRT1SIRT2MAPT

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
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
WO-2010068881-A1 NOVEL BENZODIOXANE AND BENZOXAZINE DERIVATIVES USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-06-17 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-20100152160-A1 NOVEL BENZODIOXANE AND BENZOXAZINE DERIVATIVES USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS CCR1, CCR4, CCR5 POLB 3780/4885SIRT1 1521/4885MEN1 4595/4885

“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.