SCHEMBL4592146

SCHEMBL4592146

CCc1ccc(NCc2cnc(OC)nc2OC)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 1/20 0.46
MAPT P10636 7/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
GAA P10253 3/20 0.41
POLB P06746 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
APAF1 O14727 1/20 0.41
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
ALOX12 P18054 1/20 0.41
MAPK1 P28482 1/20 0.41
CASP1 P29466 1/20 0.41
BLM P54132 1/20 0.41
HSD17B10 Q99714 1/20 0.41
NAMPT P43490 1/20 0.37
CRHR1 P34998 1/20 0.36
NPC1 O15118 2/20 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
SCHEMBL12047718 0.83 ALDH1A1 (0.46) MAPTMEN1KMT2AGAAPOLB
SCHEMBL12044436 0.76 CRHR1 (0.43) MEN1KMT2AALDH1A1HSD17B10NAMPT
SCHEMBL5583388 0.73 LMNA (0.45) MEN1KMT2APOLBALDH1A1HPGD
SCHEMBL2759587 0.73 QPCT (0.52) MEN1KMT2AALDH1A1HPGDCASP1
SCHEMBL5744304 0.70 CXCR4 (0.49) CXCR4MAPTMEN1KMT2AGAA
SCHEMBL10568312 0.70 QPCT (0.38) CRHR1
SCHEMBL6691841 0.69 ACACB (0.38) MEN1KMT2AL3MBTL1ALDH1A1MAPK1
SCHEMBL13920403 0.69 PDE4A (0.39) ALDH1A1HPGDHSD17B10NAMPTCRHR1
SCHEMBL6690712 0.69 DHFR (0.38)
SCHEMBL13920402 0.68 CD274 (0.40) CRHR1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8071810-B2 3-(3-Amino-2,6-diisopropyl-phenyl)-1-(4-isopropyl-phenyl)-1-(4-methoxy-benzyl)-urea; autoimmune disorders; inflammation JERINI AG (DE) 2011-12-06 US disclosed
US-20080220003-A1 C5a Receptor Antagonists JERINI AG (DE) 2008-09-11 US disclosed
CN-101189209-A C5a receptor antagonists JERINI AG (DE) 2008-05-28 CN disclosed
EP-1885691-A1 C5A RECEPTOR ANTAGONISTS Jerini AG (DE) 2008-02-13 EP disclosed
EP-1739078-A1 Antagonists of C5a-receptor Jerini AG (DE) 2007-01-03 EP disclosed
WO-2006128670-A1 C5A RECEPTOR ANTAGONISTS JERINI AG (DE) 2006-12-07 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-20080220003-A1 C5a Receptor Antagonists C3AR1, C5AR2, C5AR1 CXCR4 318/4885MAPT 4871/4885MEN1 3390/4885

“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.