SCHEMBL3356896

SCHEMBL3356896

CCOC(=O)C1(Cc2ccc(F)cc2)CCN(C(=O)C2CNc3cc(Cl)c(OC)cc3O2)CC1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.51
L3MBTL1 Q9Y468 3/20 0.49
MEN1 O00255 5/20 0.45
KMT2A Q03164 5/20 0.45
MAPT P10636 3/20 0.42
POLB P06746 1/20 0.41
KDM4E B2RXH2 1/20 0.41
HTT P42858 1/20 0.41
PKM P14618 1/20 0.41
LMNA P02545 2/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL13330859 0.91 ALDH1A1 (0.49) ALDH1A1L3MBTL1MEN1KMT2AMAPT
SCHEMBL13330864 0.91 ALDH1A1 (0.39) ALDH1A1L3MBTL1MEN1KMT2AMAPT
SCHEMBL3354897 0.89 L3MBTL1 (0.49) ALDH1A1L3MBTL1MEN1KMT2AMAPT
SCHEMBL3355355 0.86 KMT2A (0.39) ALDH1A1L3MBTL1MEN1KMT2APOLB
SCHEMBL3354939 0.85 CCR1 (0.37) ALDH1A1L3MBTL1KMT2AMAPTKDM4E
SCHEMBL3353168 0.81 CCR1 (0.35) ALDH1A1KMT2AMAPTKDM4EHTT
SCHEMBL3355480 0.81 ALDH1A1 (0.45) ALDH1A1L3MBTL1MEN1KMT2AMAPT
SCHEMBL3354931 0.80 CYP19A1 (0.35) POLBLMNA
SCHEMBL3356066 0.80 ALDH1A1 (0.35) ALDH1A1L3MBTL1MEN1KMT2APOLB
SCHEMBL3351152 0.77 MGLL (0.34) ALDH1A1L3MBTL1

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 6 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 claimed
US-20100152160-A1 NOVEL BENZODIOXANE AND BENZOXAZINE DERIVATIVES USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS KHAMRAI UTTAM 2010-06-17 US claimed
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
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 ALDH1A1 903/4885L3MBTL1 4318/4885MEN1 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.