SCHEMBL5657406

SCHEMBL5657406

O=C(NCc1ccc(NC2=NCCN2)cc1)c1ccc(OCC(CO)CO)cc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 6/20 0.51
ADRA2A P08913 6/20 0.50
ADRA2B P18089 5/20 0.50
ADRA2C P18825 5/20 0.50
GPR65 Q8IYL9 1/20 0.47
MLLT1 Q03111 1/20 0.45
F12 P00748 1/20 0.43
PRSS1 P07477 1/20 0.43
PRSS2 P07478 1/20 0.43
PRSS3 P35030 1/20 0.43
LMNA P02545 2/20 0.43
WDR5 P61964 4/20 0.43
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL5657359 0.92 PTGIR (0.49) PTGIRADRA2AADRA2BADRA2CGPR65
SCHEMBL5656724 0.90 PTGIR (0.53) PTGIRADRA2AADRA2BADRA2CGPR65
SCHEMBL5656110 0.88 PTGIR (0.53) PTGIRADRA2AADRA2BADRA2CGPR65
SCHEMBL5656401 0.87 PTGIR (0.61) PTGIRADRA2AADRA2BADRA2CGPR65
SCHEMBL5659767 0.85 PTGIR (0.57) PTGIRADRA2AADRA2BADRA2CGPR65
SCHEMBL5657780 0.85 LMNA (0.61) PTGIRADRA2AADRA2BADRA2CGPR65
SCHEMBL5659545 0.85 PTGIR (0.52) PTGIRADRA2AADRA2BADRA2CGPR65
SCHEMBL5657784 0.85 LMNA (0.55) PTGIRADRA2AADRA2BADRA2CGPR65
SCHEMBL5656473 0.85 PTGIR (0.71) PTGIRADRA2AADRA2BADRA2CGPR65
SCHEMBL5658542 0.84 PTGIR (0.51) PTGIRADRA2AADRA2BADRA2CGPR65

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 44/4885ADRA2A 90/4885ADRA2B 82/4885

“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.