SCHEMBL3355843

SCHEMBL3355843

CCS(=O)(=O)N1CC(C(=O)N2CCN(Cc3ccccc3)CC2)Oc2ccccc21

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.53
CYP2C9 P11712 1/20 0.53
AIMP2 Q13155 1/20 0.53
ALDH1A1 P00352 6/20 0.52
KMT2A Q03164 4/20 0.51
TSHR P16473 2/20 0.49
CYP2C19 P33261 1/20 0.48
POLB P06746 1/20 0.48
LMNA P02545 1/20 0.47
NPC1 O15118 1/20 0.46
SIRT1 Q96EB6 1/20 0.46
KDM4E B2RXH2 1/20 0.45
MAPK1 P28482 2/20 0.45
MAPT P10636 1/20 0.44

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
SCHEMBL18171334 0.78 AIMP2 (0.81) AIMP2ALDH1A1KMT2ATSHRPOLB
Hydrochloric Acid SCHEMBL18171335 0.77 AIMP2 (0.80) AIMP2ALDH1A1KMT2ATSHRPOLB
SCHEMBL8020110 0.73 HTR1A (0.61) AIMP2ALDH1A1KMT2ATSHRCYP2C19
SCHEMBL3351833 0.72 SIRT2 (0.54) AIMP2KMT2ATSHRSIRT1
SCHEMBL3354307 0.72 POLB (0.56) CYP1A2CYP2C9AIMP2ALDH1A1KMT2A
SCHEMBL3384086 0.70 SIRT2 (0.52) AIMP2ALDH1A1KMT2ATSHRPOLB
SCHEMBL3355450 0.70 KMT2A (0.73) AIMP2ALDH1A1KMT2ATSHRPOLB
SCHEMBL25337487 0.69 AIMP2 (1.00) AIMP2ALDH1A1KMT2ATSHRPOLB
SCHEMBL8035817 0.69 AIMP2 (0.54) AIMP2ALDH1A1KMT2ATSHRCYP2C19
SCHEMBL12727134 0.68 KDM4E (0.68) ALDH1A1NPC1KDM4E

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 4 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
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 CYP1A2 1299/4885CYP2C9 1787/4885AIMP2 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.