SCHEMBL3352360

SCHEMBL3352360

O=C(C1COc2cc(Cl)ccc2O1)N1CCCN(Cc2ccc(F)cc2)CC1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AIMP2 Q13155 2/20 0.62
KMT2A Q03164 2/20 0.61
TSHR P16473 1/20 0.61
POLB P06746 2/20 0.51
LMNA P02545 1/20 0.50
HPGD P15428 2/20 0.47
ALDH1A1 P00352 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
LTA4H P09960 2/20 0.47
FAAH O00519 1/20 0.45
KDM4E B2RXH2 1/20 0.45
MAPT P10636 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45

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
SCHEMBL3359550 0.96 AIMP2 (0.67) AIMP2KMT2ATSHRPOLBLMNA
SCHEMBL3359404 0.90 KMT2A (0.57) AIMP2KMT2ATSHRPOLBHPGD
SCHEMBL3355450 0.84 KMT2A (0.73) AIMP2KMT2ATSHRPOLBLMNA
SCHEMBL3355154 0.83 AIMP2 (0.48) AIMP2KMT2ATSHRHPGDKDM4E
SCHEMBL3352179 0.83 AIMP2 (0.46) AIMP2KMT2ATSHRHPGDKDM4E
SCHEMBL3354632 0.81 CCR1 (0.53) AIMP2KMT2ATSHR
SCHEMBL3354640 0.81 CCR1 (0.53) AIMP2KMT2ATSHR
SCHEMBL3354393 0.81 RAB9A (0.47) AIMP2KMT2ATSHRPOLBHPGD
SCHEMBL3354266 0.78 AIMP2 (0.49) AIMP2KMT2ATSHR
SCHEMBL3353008 0.78 AIMP2 (0.52) AIMP2KMT2ATSHR

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
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 AIMP2 3678/4885KMT2A 3495/4885TSHR 2264/4885

“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.