SCHEMBL5659119

SCHEMBL5659119

CC(C)(C)c1ccc(C(=O)NCc2ccc(NC3=NCCN3)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 1/20 0.59
EPHX2 P34913 13/20 0.57
NR1H4 Q96RI1 10/20 0.57
ADRA2A P08913 2/20 0.56
ADRA2B P18089 2/20 0.56
ADRA2C P18825 2/20 0.56
HDAC3 O15379 1/20 0.55
HDAC8 Q9BY41 1/20 0.55
HDAC6 Q9UBN7 1/20 0.55
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2C19 P33261 1/20 0.54
RAB9A P51151 2/20 0.53
LMNA P02545 1/20 0.53
NAMPT P43490 1/20 0.53
NPC1 O15118 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52

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
SCHEMBL5656945 0.89 PTGIR (0.59) PTGIREPHX2ADRA2AADRA2BADRA2C
SCHEMBL5658627 0.89 ADRA2A (0.59) PTGIRADRA2AADRA2BADRA2C
SCHEMBL5658659 0.89 ADRA2A (0.63) PTGIRADRA2AADRA2BADRA2C
SCHEMBL5657415 0.89 ADRA2A (0.59) PTGIRADRA2AADRA2BADRA2CMEN1
SCHEMBL5657241 0.87 ADRA2A (0.60) PTGIRADRA2AADRA2BADRA2C
SCHEMBL5656497 0.87 KDM4E (0.57) PTGIRADRA2AADRA2BADRA2CHDAC3
SCHEMBL5656678 0.87 ADRA2A (0.56) PTGIRADRA2AADRA2BADRA2C
SCHEMBL5659779 0.86 ADRA2A (0.59) PTGIRADRA2AADRA2BADRA2CMEN1
SCHEMBL5657222 0.86 ADRA2A (0.59) PTGIRADRA2AADRA2BADRA2CMEN1
SCHEMBL5656503 0.86 ADRA2A (0.59) PTGIRADRA2AADRA2BADRA2CLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7279498-B2 Substituted aryl amides as IP antagonists ROCHE PALO ALTO LLC (US) 2007-10-09 US disclosed
US-7279498-B2 Substituted aryl amides as IP antagonists ROCHE PALO ALTO LLC (US) 2007-10-09 US disclosed
US-7279498-B2 Substituted aryl amides as IP antagonists ROCHE PALO ALTO LLC (US) 2007-10-09 US disclosed
US-6998414-B2 Substituted arylamides as IP antagonists ROCHE PALO ALTO LLC (US) 2006-02-14 US disclosed
US-20060004075-A1 Substituted aryl amides as IP antagonists ROCHE PALO ALTO LLC 2006-01-05 US 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-20060004075-A1 Substituted aryl amides as IP antagonists INSR, INSRR, GIPR PTGIR 44/4885EPHX2 1702/4885NR1H4 229/4885

“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.