SCHEMBL4603897

SCHEMBL4603897

CNC(=O)c1cc(NC(=O)Oc2ccccc2)cc(-c2nnnn2C)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.45
CCR3 P51677 3/20 0.44
NPSR1 Q6W5P4 2/20 0.41
HIF1A Q16665 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
ALDH1A1 P00352 5/20 0.40
GAA P10253 3/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
MAPT P10636 2/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PORCN Q9H237 1/20 0.39
PIP5K1C O60331 2/20 0.38
PIK3CA P42336 2/20 0.38
KDM4E B2RXH2 1/20 0.38
THRB P10828 1/20 0.38
GFER P55789 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ABCC9 O60706 1/20 0.38

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
SCHEMBL4768262 0.90 CYP1A2 (0.55) CYP1A2CCR3NPSR1HIF1ARXFP1
SCHEMBL4604415 0.86 PORCN (0.47) CYP1A2CCR3NPSR1ALDH1A1GAA
SCHEMBL5908177 0.86 ALDH1A1 (0.44) CYP1A2CCR3NPSR1HIF1ARXFP1
SCHEMBL4437613 0.83 CYP1A2 (0.53) CYP1A2CCR3ALDH1A1GAAMEN1
SCHEMBL4606028 0.82 CCR3 (0.53) CCR3
SCHEMBL4605681 0.82 CCR3 (0.47) CYP1A2CCR3ALDH1A1GAAMEN1
SCHEMBL4606931 0.82 ALDH1A1 (0.44) CYP1A2NPSR1HIF1ARXFP1ALDH1A1
SCHEMBL6083827 0.81 ABCC9 (0.55) NPSR1ALDH1A1GAAMEN1KMT2A
SCHEMBL4606481 0.80 ALDH1A1 (0.41) CYP1A2CCR3NPSR1ALDH1A1GAA
SCHEMBL5383938 0.78 KMT2A (0.51) CYP1A2CCR3ALDH1A1GAAMEN1

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 CYP1A2 1758/4885CCR3 1/4885NPSR1 275/4885

“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.