SCHEMBL4606931

SCHEMBL4606931

Cn1nnnc1-c1cncc(NC(=O)Oc2ccccc2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.44
GAA P10253 4/20 0.44
MAPT P10636 3/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CYP1A2 P05177 1/20 0.43
ABCC9 O60706 1/20 0.43
ABCC8 Q09428 1/20 0.43
KCNJ11 Q14654 1/20 0.43
KCNJ8 Q15842 1/20 0.43
PORCN Q9H237 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
KDM4E B2RXH2 2/20 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

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
SCHEMBL4437613 0.87 CYP1A2 (0.53) ALDH1A1GAAMAPTHTTSMN1; SMN2
SCHEMBL5908177 0.86 ALDH1A1 (0.44) ALDH1A1GAAMAPTHTTSMN1; SMN2
SCHEMBL4604415 0.86 PORCN (0.47) ALDH1A1GAAMAPTHTTSMN1; SMN2
SCHEMBL6083827 0.86 ABCC9 (0.55) ALDH1A1GAAMAPTHTTSMN1; SMN2
SCHEMBL4768262 0.84 CYP1A2 (0.55) ALDH1A1GAAMAPTHTTSMN1; SMN2
SCHEMBL5383938 0.83 KMT2A (0.51) ALDH1A1GAAMAPTHTTSMN1; SMN2
SCHEMBL4606028 0.83 CCR3 (0.53)
SCHEMBL4605681 0.83 CCR3 (0.47) ALDH1A1GAAMAPTHTTSMN1; SMN2
SCHEMBL4603897 0.82 CYP1A2 (0.45) ALDH1A1GAAMAPTHTTSMN1; SMN2
SCHEMBL6274455 0.82 CCR3 (0.47) ALDH1A1GAAHTTSMN1; SMN2CYP1A2

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 ALDH1A1 906/4885GAA 2978/4885MAPT 4557/4885

“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.