SCHEMBL4592530

SCHEMBL4592530

CCc1ccc(NCc2ccc(C)nc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.54
ALDH1A1 P00352 4/20 0.54
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
HPGD P15428 3/20 0.54
ALOX15 P16050 3/20 0.54
HSD17B10 Q99714 3/20 0.54
MAPT P10636 3/20 0.54
POLB P06746 2/20 0.54
MAPK1 P28482 2/20 0.54
CASP1 P29466 2/20 0.54
BLM P54132 2/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
APAF1 O14727 1/20 0.54
USP2 O75604 1/20 0.54
ALOX12 P18054 1/20 0.54
CXCR4 P61073 1/20 0.51
AURKA O14965 1/20 0.48
ABL1 P00519 1/20 0.48
NTRK1 P04629 1/20 0.48

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
SCHEMBL4740818 0.85 AURKA (0.65) GAAALDH1A1MEN1KMT2AHPGD
SCHEMBL3844597 0.84 LTA4H (0.59) GAAALDH1A1MEN1KMT2AMAPT
SCHEMBL30093325 0.83 CXCR4 (0.60) GAAALDH1A1MEN1KMT2AHPGD
SCHEMBL24448 0.79
SCHEMBL29391736 0.79
SCHEMBL8060137 0.79 MEN1 (0.80) GAAALDH1A1MEN1KMT2AHPGD
SCHEMBL13766317 0.78 ALDH1A1 (0.73) GAAALDH1A1MEN1KMT2AHPGD
SCHEMBL29361262 0.77 L3MBTL1 (0.46) GAAMEN1KMT2APOLBL3MBTL1
SCHEMBL22685742 0.77 L3MBTL1 (0.46) GAAMEN1KMT2APOLBL3MBTL1
Hydrochloric Acid SCHEMBL29018520 0.77 L3MBTL1 (0.46) GAAMEN1KMT2APOLBL3MBTL1

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 11 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-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-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
US-20080220003-A1 C5a Receptor Antagonists JERINI AG (DE) 2008-09-11 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
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 GAA 4858/4885ALDH1A1 3680/4885MEN1 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.