SCHEMBL3358610

SCHEMBL3358610

CCOC(=O)C1CNc2cc(Cl)cc([N+](=O)[O-])c2O1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 1/20 0.39
POLB P06746 1/20 0.36
MAPT P10636 4/20 0.35
ALDH1A1 P00352 3/20 0.35
TP53 P04637 1/20 0.35
HTT P42858 1/20 0.35
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
CTSB P07858 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
KDM4E B2RXH2 1/20 0.33
THRB P10828 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
SCHEMBL11567309 0.83 MAPT (0.37) VCAM1POLBMAPTALDH1A1KMT2A
SCHEMBL3359142 0.83 VCAM1 (0.37) VCAM1POLBMAPTALDH1A1MEN1
SCHEMBL3355786 0.82 POLB (0.38) POLBMAPTALDH1A1MEN1KMT2A
SCHEMBL3354714 0.80 VCAM1 (0.43) VCAM1POLBMAPTALDH1A1MEN1
SCHEMBL13331659 0.79 VCAM1 (0.34) VCAM1POLBMAPTALDH1A1MEN1
SCHEMBL29527171 0.75 POLB (0.55) POLBMAPTALDH1A1MEN1KMT2A
SCHEMBL3353094 0.75 POLB (0.55) POLBMAPTALDH1A1MEN1KMT2A
SCHEMBL11563527 0.73 HSD17B10 (0.43) POLBMAPTALDH1A1KMT2A
SCHEMBL11563465 0.73 MAPT (0.43) POLBMAPTALDH1A1MEN1KMT2A
SCHEMBL7817324 0.72 POLB (0.52) POLBMAPTALDH1A1HTTMEN1

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 VCAM1 49/4885POLB 3780/4885MAPT 4510/4885

“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.