SCHEMBL4604449

SCHEMBL4604449

Cn1nnnc1-c1cc(N)cc(-c2ccccc2)c1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.50
ACLY P53396 1/20 0.41
ALDH1A1 P00352 3/20 0.40
TSHR P16473 2/20 0.40
MAOA P21397 1/20 0.39
HTT P42858 2/20 0.39
POLB P06746 1/20 0.39
ACHE P22303 1/20 0.39
MAPT P10636 1/20 0.38
KMT2A Q03164 2/20 0.38
CCR3 P51677 1/20 0.38
HIF1A Q16665 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
GSK3B P49841 1/20 0.36
KMO O15229 1/20 0.36
PIP4K2C Q8TBX8 1/20 0.36
MEN1 O00255 1/20 0.36

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
SCHEMBL7452483 0.83 ACLY (0.53) SMN1; SMN2ACLYALDH1A1TSHRHTT
SCHEMBL584175 0.82 SMN1; SMN2 (0.50) SMN1; SMN2ACLYALDH1A1TSHRMAOA
SCHEMBL30136797 0.82 SMN1; SMN2 (0.50) SMN1; SMN2ACLYALDH1A1TSHRMAOA
SCHEMBL822762 0.81 SMN1; SMN2 (0.55) SMN1; SMN2ACLYALDH1A1TSHRHTT
SCHEMBL584093 0.80 SMN1; SMN2 (0.56) SMN1; SMN2ALDH1A1TSHRHTTPOLB
SCHEMBL4606332 0.79 SMN1; SMN2 (0.51) SMN1; SMN2ACLYALDH1A1HTTMAPT
SCHEMBL583651 0.78 SMN1; SMN2 (0.53) SMN1; SMN2ALDH1A1HTTPOLBKMT2A
SCHEMBL4603388 0.76 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1KMT2AHIF1ANPSR1
SCHEMBL5345851 0.75 SMN1; SMN2 (0.50) SMN1; SMN2CCR3
SCHEMBL3375138 0.74 SMN1; SMN2 (0.52) SMN1; SMN2ALDH1A1HTTMAPTKMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080306067-A1 Modulators of Chemokine Receptor Activity WEIGAND KLAUS 2008-12-11 US disclosed
EP-1943235-A1 ARYLUREA DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Novartis AG (CH) 2008-07-16 EP disclosed
WO-2007048771-A1 ARYLUREA DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY NOVARTIS AG (CH) 2007-05-03 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-20080306067-A1 Modulators of Chemokine Receptor Activity CCR3, CCR1, CCR4 SMN1; SMN2 4305/4885ACLY 4470/4885ALDH1A1 906/4885

“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.