SCHEMBL4593208

SCHEMBL4593208

COc1ccc(NC(C)c2ccc(Cl)cc2)c(F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.46
CNR2 P34972 2/20 0.44
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
ALDH1A1 P00352 5/20 0.41
POLB P06746 3/20 0.40
GAA P10253 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
LMNA P02545 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
MAPT P10636 1/20 0.40
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.40
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
TAS1R2 Q8TE23 1/20 0.39
SCN1A P35498 2/20 0.39
SCN5A Q14524 2/20 0.39
SCN8A Q9UQD0 2/20 0.39
ACACB O00763 1/20 0.38

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
SCHEMBL4593206 1.00 HDAC8 (0.46) HDAC8CNR2MEN1KMT2AALDH1A1
SCHEMBL5053394 0.80 HDAC8 (0.46) HDAC8CNR2MEN1KMT2AALDH1A1
SCHEMBL23015711 0.78 L3MBTL1 (0.45) MEN1KMT2AALDH1A1POLBGAA
SCHEMBL16574226 0.75 ALDH1A1 (0.70) CNR2MEN1KMT2AALDH1A1GAA
SCHEMBL28440821 0.75 ALDH1A1 (0.70) CNR2MEN1KMT2AALDH1A1GAA
SCHEMBL4705192 0.74 NR1I2 (0.40) MEN1KMT2AALDH1A1POLBGAA
SCHEMBL2829632 0.71 MEN1 (0.46) MEN1KMT2AALDH1A1POLBGAA
SCHEMBL13595281 0.71 S1PR3 (0.45) HDAC8MEN1KMT2AALDH1A1GAA
SCHEMBL15137062 0.70 HDAC8 (0.56) HDAC8MEN1KMT2AALDH1A1GAA
SCHEMBL3117689 0.69 RAB9A (0.45) MEN1KMT2AALDH1A1POLBGAA

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 4 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
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 HDAC8 2153/4885CNR2 14/4885MEN1 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.