SCHEMBL5658534

SCHEMBL5658534

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

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 3/20 0.50
ADRA2B P18089 3/20 0.50
ADRA2C P18825 3/20 0.50
MEN1 O00255 1/20 0.48
TP53 P04637 1/20 0.48
POLB P06746 1/20 0.48
KMT2A Q03164 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
ALDH1A1 P00352 3/20 0.47
PTGIR P43119 3/20 0.46
MLLT1 Q03111 1/20 0.45
ITGB3 P05106 1/20 0.44
ITGAV P06756 1/20 0.44
ITGA2B P08514 1/20 0.44
LMNA P02545 1/20 0.44
HPGD P15428 1/20 0.44
NAMPT P43490 1/20 0.44
CXCR4 P61073 1/20 0.43

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
SCHEMBL5666757 0.88 EPHX2 (0.55) ADRA2AADRA2BADRA2CTDP1PTGIR
SCHEMBL5658375 0.86 ALDH1A1 (0.62) ADRA2AADRA2BADRA2CMEN1POLB
SCHEMBL5654940 0.86 ALDH1A1 (0.58) ADRA2AADRA2BADRA2CMEN1KMT2A
SCHEMBL5656678 0.86 ADRA2A (0.56) ADRA2AADRA2BADRA2CPTGIRMLLT1
SCHEMBL5658627 0.85 ADRA2A (0.59) ADRA2AADRA2BADRA2CPTGIRMLLT1
SCHEMBL5658659 0.83 ADRA2A (0.63) ADRA2AADRA2BADRA2CPTGIRMLLT1
SCHEMBL5657415 0.83 ADRA2A (0.59) ADRA2AADRA2BADRA2CMEN1KMT2A
SCHEMBL5657241 0.82 ADRA2A (0.60) ADRA2AADRA2BADRA2CPTGIRMLLT1
SCHEMBL5655412 0.82 NAMPT (0.59) ALDH1A1NAMPT
SCHEMBL5659141 0.82 ADRA2A (0.54) ADRA2AADRA2BADRA2CPTGIRMLLT1

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 ADRA2A 90/4885ADRA2B 82/4885ADRA2C 112/4885

“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.