SCHEMBL2541667

SCHEMBL2541667

COc1ccc(Cn2[c]nc3ccccc32)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.52
KDM4E B2RXH2 4/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
LMNA P02545 4/20 0.52
ALDH1A1 P00352 3/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
CNR2 P34972 2/20 0.52
HPGD P15428 2/20 0.50
NPSR1 Q6W5P4 2/20 0.50
GAA P10253 2/20 0.50
NPC1 O15118 1/20 0.50
GLA P06280 1/20 0.50
NFKB1 P19838 1/20 0.50
NPY1R P25929 1/20 0.50
NPY2R P49146 1/20 0.50
RAB9A P51151 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
TP53 P04637 4/20 0.48

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
SCHEMBL11227007 0.83 ALDH1A1 (0.55) HTTKDM4ESMN1; SMN2LMNAALDH1A1
SCHEMBL356141 0.82 TNF (0.47) SMN1; SMN2LMNAALDH1A1L3MBTL1KMT2A
SCHEMBL1650533 0.80 RAB9A (0.48) HTTSMN1; SMN2LMNAALDH1A1NPSR1
SCHEMBL1828029 0.73 SLC9A1 (0.47) HTTKDM4ESMN1; SMN2LMNAALDH1A1
SCHEMBL1381878 0.72 SLC9A1 (0.44) HTTKDM4ESMN1; SMN2LMNAALDH1A1
SCHEMBL3091129 0.72 P2RX4 (0.48) HTTKDM4ESMN1; SMN2LMNAALDH1A1
SCHEMBL30138392 0.72 HTT (0.72) HTTSMN1; SMN2LMNAALDH1A1HPGD
SCHEMBL12771538 0.72 HTT (0.72) HTTSMN1; SMN2LMNAALDH1A1HPGD
SCHEMBL945956 0.71 TNF (0.50) HTTKDM4ESMN1; SMN2LMNAALDH1A1
SCHEMBL1304130 0.71 SMN1; SMN2 (0.71) HTTKDM4ESMN1; SMN2LMNAALDH1A1

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-8044078-B2 Amino-alkyl amide derivatives as CCR3 receptor ligands SANOFI-AVENTIS (FR) 2011-10-25 US disclosed
US-20080280961-A1 New amino-alkyl-amide derivatives as CCR3 receptor ligands SANOFI-AVENTIS (FR) 2008-11-13 US disclosed
EP-1940777-A1 AMINO-ALKYL-AMIDE DERIVATIVES AS CCR3 RECEPTOR LIGANDS Sanofi-Aventis (FR) 2008-07-09 EP disclosed
WO-2007034253-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 (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-20080280961-A1 New amino-alkyl-amide derivatives as CCR3 receptor ligands CCR3, CCR1, CCR4 HTT 4829/4885KDM4E 3442/4885SMN1; SMN2 2232/4885

“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.