SCHEMBL5658117

SCHEMBL5658117

O=C(NCc1ccc(NC2=NCCN2)cc1)c1ccc(N2CCCC2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 5/20 0.59
ADRA2B P18089 5/20 0.59
ADRA2C P18825 5/20 0.59
HDAC1 Q13547 2/20 0.53
HDAC3 O15379 1/20 0.53
HDAC4 P56524 1/20 0.53
HDAC7 Q8WUI4 1/20 0.53
HDAC2 Q92769 1/20 0.53
HDAC10 Q969S8 1/20 0.53
HDAC11 Q96DB2 1/20 0.53
HDAC8 Q9BY41 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
HDAC9 Q9UKV0 1/20 0.53
HDAC5 Q9UQL6 1/20 0.53
MLLT1 Q03111 1/20 0.49
JAK2 O60674 1/20 0.47
JAK1 P23458 1/20 0.47
JAK3 P52333 1/20 0.47
PTGIR P43119 2/20 0.46
NAMPT P43490 2/20 0.45

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
SCHEMBL5656488 0.99 ADRA2A (0.58) ADRA2AADRA2BADRA2CHDAC1HDAC3
SCHEMBL5659076 0.93 ADRA2A (0.58) ADRA2AADRA2BADRA2CHDAC1HDAC3
SCHEMBL5654958 0.92 ADRA2A (0.57) ADRA2AADRA2BADRA2CHDAC1HDAC8
SCHEMBL5658814 0.91 ADRA2A (0.59) ADRA2AADRA2BADRA2CHDAC1MLLT1
SCHEMBL5657259 0.90 ADRA2A (0.53) ADRA2AADRA2BADRA2CHDAC1HDAC3
SCHEMBL5656482 0.90 ADRA2A (0.55) ADRA2AADRA2BADRA2CHDAC1HDAC3
SCHEMBL5659450 0.89 ADRA2A (0.54) ADRA2AADRA2BADRA2CHDAC1MLLT1
SCHEMBL5659486 0.89 ADRA2A (0.57) ADRA2AADRA2BADRA2CHDAC1HDAC3
SCHEMBL5657361 0.88 ADRA2A (0.55) ADRA2AADRA2BADRA2CHDAC1MLLT1
SCHEMBL5658337 0.88 ADRA2A (0.55) ADRA2AADRA2BADRA2CHDAC1MLLT1

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.