SCHEMBL3354328

SCHEMBL3354328

COc1cc(C(C(=O)O)C(=O)O)c([N+](=O)[O-])cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.44
ALDH1A1 P00352 7/20 0.41
MAPT P10636 5/20 0.41
MEN1 O00255 2/20 0.41
MAPK1 P28482 2/20 0.41
KMT2A Q03164 2/20 0.41
HTT P42858 2/20 0.41
HPGD P15428 2/20 0.40
RAF1 P04049 1/20 0.40
GFER P55789 1/20 0.40
PAX8 Q06710 1/20 0.40
TTR P02766 1/20 0.40
POLB P06746 1/20 0.39
TDP1 Q9NUW8 2/20 0.38
CYP3A4 P08684 3/20 0.38
KDM4E B2RXH2 1/20 0.38
ALOX15 P16050 1/20 0.38
PRKDC P78527 1/20 0.38
HSD17B10 Q99714 1/20 0.38
NPC1 O15118 1/20 0.38

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
SCHEMBL14761996 0.89 ALDH1A1 (0.46) LMNAALDH1A1MAPTMEN1MAPK1
SCHEMBL2589931 0.89 ALDH1A1 (0.46) LMNAALDH1A1MAPTMEN1MAPK1
SCHEMBL3353890 0.84 ALDH1A1 (0.45) LMNAALDH1A1MAPTMEN1KMT2A
SCHEMBL7749490 0.83 VCAM1 (0.42) LMNAALDH1A1MAPTMEN1MAPK1
SCHEMBL7749482 0.83 VCAM1 (0.42) LMNAALDH1A1MAPTMEN1MAPK1
SCHEMBL3354323 0.79 LMNA (0.43) LMNAALDH1A1MAPTMEN1MAPK1
SCHEMBL23577629 0.78 MEN1 (0.45) LMNAALDH1A1MAPTMEN1MAPK1
SCHEMBL7744960 0.78 VCAM1 (0.38) LMNAALDH1A1MAPTMEN1MAPK1
SCHEMBL7744957 0.78 VCAM1 (0.38) LMNAALDH1A1MAPTMEN1MAPK1
SCHEMBL2874199 0.76 LMNA (0.50) LMNAALDH1A1MAPTMEN1MAPK1

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 2 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

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 LMNA 3702/4885ALDH1A1 903/4885MAPT 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.