SCHEMBL4592666

SCHEMBL4592666

CCc1c(Cl)cc(NCc2ccco2)c(CC)c1NC(=O)N(Cc1ccc(OC)cc1)c1ccc(C(C)C)cc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
APP P05067 3/20 0.41
TEX264 Q9Y6I9 1/20 0.41
TP53 P04637 6/20 0.41
MAPT P10636 5/20 0.41
LMNA P02545 2/20 0.40
ALDH1A1 P00352 4/20 0.39
MEN1 O00255 1/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 1/20 0.39
SIRT5 Q9NXA8 1/20 0.39
THRB P10828 1/20 0.39
AQP1 P29972 1/20 0.38
HPGD P15428 2/20 0.38
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
TRPC5 Q9UL62 1/20 0.37

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
SCHEMBL4592821 0.85 C5AR1 (0.38) TP53MAPTALDH1A1MEN1KMT2A
SCHEMBL4592567 0.84 C5AR1 (0.38) TP53MAPTALDH1A1MEN1KMT2A
SCHEMBL4592040 0.84 C5AR1 (0.39) TP53MAPTALDH1A1MEN1KMT2A
SCHEMBL14620797 0.83 APP (0.36) APPTEX264TP53MAPTLMNA
SCHEMBL5154118 0.82 C5AR1 (0.36) TP53MAPTALDH1A1MEN1KMT2A
SCHEMBL4592452 0.82 SMN1; SMN2 (0.36) TP53MAPTALDH1A1MEN1KMT2A
SCHEMBL4592145 0.81 BCL2A1 (0.41) TP53MAPTALDH1A1MEN1KMT2A
SCHEMBL5049239 0.81 BCL2A1 (0.41) TP53MAPTALDH1A1MEN1KMT2A
SCHEMBL12047957 0.78 ALDH1A1 (0.44) TP53MAPTLMNAALDH1A1MEN1
SCHEMBL5050220 0.78 BCL2A1 (0.43) TP53MAPTALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080220003-A1 C5a Receptor Antagonists JERINI AG (DE) 2008-09-11 US claimed
EP-1885691-A1 C5A RECEPTOR ANTAGONISTS Jerini AG (DE) 2008-02-13 EP claimed
WO-2006128670-A1 C5A RECEPTOR ANTAGONISTS JERINI AG (DE) 2006-12-07 WO claimed
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
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 APP 4083/4885TEX264 4056/4885TP53 4032/4885

“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.