SCHEMBL4592935

SCHEMBL4592935

C#Cc1ccc(N(Cc2ccc(OC)cc2)C(=O)Nc2c(CC)c(N)cc(Cl)c2CC)cc1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BCL2A1 Q16548 4/20 0.40
SMN1; SMN2 Q16637 5/20 0.38
TP53 P04637 3/20 0.38
MAPT P10636 1/20 0.38
RNF4 P78317 1/20 0.38
POLB P06746 1/20 0.38
PDK1 Q15118 3/20 0.36
TSPO P30536 1/20 0.36
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL4593125 0.91 BCL2A1 (0.43) BCL2A1SMN1; SMN2TP53MAPTRNF4
SCHEMBL4592145 0.88 BCL2A1 (0.41) BCL2A1SMN1; SMN2TP53MAPTRNF4
SCHEMBL4592437 0.83 C5AR1 (0.39) BCL2A1SMN1; SMN2TP53MAPTRNF4
SCHEMBL4591788 0.83 DRD2 (0.40) BCL2A1SMN1; SMN2TP53MAPTPOLB
SCHEMBL4592536 0.83 PDK1 (0.41) SMN1; SMN2MAPTPOLBPDK1LMNA
SCHEMBL4592189 0.82 C5AR1 (0.37) BCL2A1SMN1; SMN2TP53MAPTRNF4
SCHEMBL4592578 0.81 MAPT (0.38) SMN1; SMN2MAPTPOLBPDK1
SCHEMBL4591651 0.81 CNR2 (0.41) BCL2A1SMN1; SMN2MAPTPOLBLMNA
SCHEMBL4591787 0.81 QPCT (0.47) BCL2A1SMN1; SMN2MAPTLMNAGAA
SCHEMBL4592454 0.80 CNR2 (0.40) MAPTPOLBPDK1

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-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 claimed
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
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 BCL2A1 4036/4885SMN1; SMN2 4617/4885TP53 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.