SCHEMBL4604415

SCHEMBL4604415

Cn1nnnc1-c1cc(NC(=O)Oc2ccccc2)cc(-c2ccccc2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PORCN Q9H237 2/20 0.47
CCR3 P51677 4/20 0.44
ALDH1A1 P00352 5/20 0.44
GAA P10253 3/20 0.44
MAPT P10636 2/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CYP1A2 P05177 1/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
NPSR1 Q6W5P4 1/20 0.42
KDM4E B2RXH2 1/20 0.41
THRB P10828 1/20 0.41
GFER P55789 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
ABCC9 O60706 1/20 0.41
ABCC8 Q09428 1/20 0.41
KCNJ11 Q14654 1/20 0.41

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
SCHEMBL5908177 0.91 ALDH1A1 (0.44) PORCNCCR3ALDH1A1GAAMAPT
SCHEMBL4437613 0.90 CYP1A2 (0.53) PORCNCCR3ALDH1A1GAAMAPT
SCHEMBL4768262 0.88 CYP1A2 (0.55) PORCNCCR3ALDH1A1GAAMAPT
SCHEMBL4606028 0.87 CCR3 (0.53) CCR3
SCHEMBL4605681 0.87 CCR3 (0.47) CCR3ALDH1A1GAAMAPTHTT
SCHEMBL4606481 0.87 ALDH1A1 (0.41) PORCNCCR3ALDH1A1GAAMAPT
SCHEMBL4606931 0.86 ALDH1A1 (0.44) PORCNALDH1A1GAAMAPTHTT
SCHEMBL4603897 0.86 CYP1A2 (0.45) PORCNCCR3ALDH1A1GAAMAPT
SCHEMBL6083827 0.86 ABCC9 (0.55) PORCNALDH1A1GAAMAPTHTT
SCHEMBL5383938 0.85 KMT2A (0.51) PORCNCCR3ALDH1A1GAAMAPT

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 PORCN 3964/4885CCR3 1/4885ALDH1A1 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.