SCHEMBL3359404

SCHEMBL3359404

O=C(C1COc2cc(Cl)c(Cl)cc2O1)N1CCCN(Cc2ccc(F)cc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.57
TSHR P16473 1/20 0.57
AIMP2 Q13155 3/20 0.56
POLB P06746 2/20 0.50
LTA4H P09960 2/20 0.47
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
GAA P10253 1/20 0.46

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
SCHEMBL3352360 0.90 AIMP2 (0.62) KMT2ATSHRAIMP2POLBLTA4H
SCHEMBL3359550 0.86 AIMP2 (0.67) KMT2ATSHRAIMP2POLBGAA
SCHEMBL3355450 0.83 KMT2A (0.73) KMT2ATSHRAIMP2POLBLTA4H
SCHEMBL3354989 0.80 CCR1 (0.50) KMT2ATSHRAIMP2
SCHEMBL3354978 0.80 CCR1 (0.50) KMT2ATSHRAIMP2
SCHEMBL3355154 0.77 AIMP2 (0.48) KMT2ATSHRAIMP2HPGD
SCHEMBL3352179 0.77 AIMP2 (0.46) KMT2ATSHRAIMP2HPGD
SCHEMBL3355413 0.76 AIMP2 (0.64) KMT2ATSHRAIMP2POLBALDH1A1
SCHEMBL3354393 0.75 RAB9A (0.47) KMT2ATSHRAIMP2POLBHPGD
SCHEMBL18171334 0.74 AIMP2 (0.81) KMT2ATSHRAIMP2POLBLTA4H

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

“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.