SCHEMBL3356445

SCHEMBL3356445

CCOC(=O)C1(Cc2ccc(F)cc2)CCN(C(=O)C2CN(C(=O)OC(C)(C)C)c3cc(Cl)c(OCc4ccccc4)cc3O2)CC1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.44
LMNA P02545 3/20 0.42
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
ALDH1A1 P00352 7/20 0.39
GAA P10253 1/20 0.39
RECQL P46063 1/20 0.38
POLB P06746 1/20 0.37
MAPK1 P28482 2/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36

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
SCHEMBL13334938 0.91 L3MBTL1 (0.42) L3MBTL1LMNAMEN1KMT2AALDH1A1
SCHEMBL3355480 0.91 ALDH1A1 (0.45) L3MBTL1LMNAMEN1KMT2AALDH1A1
SCHEMBL3359583 0.88 L3MBTL1 (0.45) L3MBTL1LMNAMEN1KMT2AALDH1A1
SCHEMBL3353800 0.87 ALDH1A1 (0.37) ALDH1A1
SCHEMBL3358089 0.86 L3MBTL1 (0.43) L3MBTL1LMNAMEN1KMT2AALDH1A1
SCHEMBL13308316 0.85 ALDH1A1 (0.37) ALDH1A1
SCHEMBL13330723 0.85 PPARG (0.34) L3MBTL1ALDH1A1
SCHEMBL3351789 0.82 YAP1 (0.37)
SCHEMBL3358660 0.82 MC4R (0.35) LMNAMEN1KMT2AALDH1A1
SCHEMBL3355131 0.81 POLB (0.42) L3MBTL1MEN1KMT2AALDH1A1POLB

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 3 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

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 L3MBTL1 4318/4885LMNA 3702/4885MEN1 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.