SCHEMBL4760099

SCHEMBL4760099

CC(Sc1nc2ccccc2n1C)C(=O)O

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.70
NPSR1 Q6W5P4 3/20 0.69
HTT P42858 1/20 0.69
PTGS2 P35354 1/20 0.58
ATM Q13315 1/20 0.57
MAPT P10636 3/20 0.56
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
RXFP1 Q9HBX9 3/20 0.51
PRNP P04156 2/20 0.51
KDM4E B2RXH2 1/20 0.51
MAPK10 P53779 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
AURKB Q96GD4 1/20 0.50
LMNA P02545 1/20 0.49
POLB P06746 1/20 0.48
HDAC6 Q9UBN7 1/20 0.47

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
SCHEMBL11007774 0.83 AURKB (0.72) ALDH1A1NPSR1HTTPTGS2ATM
SCHEMBL8363505 0.81 ATM (0.68) ALDH1A1NPSR1HTTATMMAPT
SCHEMBL11008262 0.78 MAPT (0.64) ALDH1A1NPSR1HTTATMMAPT
SCHEMBL11010130 0.78 AURKB (0.61) ALDH1A1NPSR1HTTPTGS2ATM
SCHEMBL4967076 0.75 ATM (0.64) ALDH1A1NPSR1HTTATMMAPT
SCHEMBL4476411 0.75 ALDH1A1 (0.71) ALDH1A1NPSR1ATMMAPTMEN1
SCHEMBL11006526 0.74 MAPT (0.59) ALDH1A1NPSR1HTTATMMAPT
Hydrochloric Acid SCHEMBL3519020 0.73 ALDH1A1 (0.69) ALDH1A1NPSR1ATMMAPTMEN1
SCHEMBL19046887 0.73 SLC22A12 (0.71) ALDH1A1NPSR1HTTATMMAPT
SCHEMBL17153801 0.73 ATM (0.78) ALDH1A1NPSR1HTTATMMAPT

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
US-20080293745-A1 New amino-alkyl-amide derivatives as CCR3 receptor ligands SANOFI-AVENTIS (FR) 2008-11-27 US disclosed
US-20080280963-A1 New amino-alkyl-amide derivatives as CCR3 receptor ligands SANOFI-AVENTIS (FR) 2008-11-13 US disclosed
EP-1931627-A1 AMINO-ALKYL-AMIDE DERIVATIVES AS CCR3 RECEPTOR LIGANDS Sanofi-Aventis (FR) 2008-06-18 EP disclosed
WO-2007034251-A1 AMINO-ALKYL-AMIDE DERIVATIVES AS CCR3 RECEPTOR LIGANDS SANOFI-AVENTIS (FR) 2007-03-29 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 (2 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-20080293745-A1 New amino-alkyl-amide derivatives as CCR3 receptor ligands CCR3, CCR1, CCR4 ALDH1A1 1778/4885NPSR1 222/4885HTT 4829/4885
US-20080280963-A1 New amino-alkyl-amide derivatives as CCR3 receptor ligands CCR3, CCR1, CCR4 ALDH1A1 1778/4885NPSR1 222/4885HTT 4829/4885

“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.