SCHEMBL5049340

SCHEMBL5049340

COc1ccc(CN(C(=O)Nc2c(C(C)C)cccc2C(C)C)c2ccc(C(C)C)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.45
TP53 P04637 1/20 0.45
BCL2A1 Q16548 2/20 0.45
RNF4 P78317 1/20 0.45
RAB9A P51151 2/20 0.45
NPC1 O15118 1/20 0.45
ALDH1A1 P00352 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
BMP1 P13497 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
LPAR1 Q92633 1/20 0.44
C5AR1 P21730 1/20 0.44

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
SCHEMBL856560 0.92 SMN1; SMN2 (0.46) SMN1; SMN2KMT2A
SCHEMBL855239 0.91 MEN1 (0.48) TP53RNF4RAB9ANPC1SMN1; SMN2
SCHEMBL5051766 0.88 POLB (0.45) POLBTP53BCL2A1RNF4RAB9A
SCHEMBL854382 0.88 SOAT1 (0.47) SMN1; SMN2KMT2A
SCHEMBL855945 0.88 SOAT2 (0.47) SMN1; SMN2KMT2AC5AR1
SCHEMBL855085 0.88 SMN1; SMN2 (0.45) RAB9ASMN1; SMN2MEN1KMT2ALPAR1
SCHEMBL854468 0.87 RXRA (0.48) MEN1KMT2A
SCHEMBL856005 0.87 SMN1; SMN2 (0.41) ALDH1A1SMN1; SMN2MEN1KMT2ALPAR1
SCHEMBL854986 0.87 SMN1; SMN2 (0.41) BCL2A1SMN1; SMN2
SCHEMBL856628 0.86 STAT3 (0.47)

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 7 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
EP-1739078-A1 Antagonists of C5a-receptor Jerini AG (DE) 2007-01-03 EP 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 POLB 4807/4885TP53 4032/4885BCL2A1 4036/4885

“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.