SCHEMBL5657780

SCHEMBL5657780

CCCCOc1ccc(C(=O)NCc2ccc(NC3=NCCN3)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
PTGIR P43119 4/20 0.54
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
ADRA2A P08913 3/20 0.51
ADRA2B P18089 2/20 0.51
ADRA2C P18825 2/20 0.51
HPGD P15428 1/20 0.51
HSD17B10 Q99714 1/20 0.51
RAD52 P43351 1/20 0.51
MAPT P10636 1/20 0.51
TP53 P04637 1/20 0.49
TSHR P16473 1/20 0.49
GPR65 Q8IYL9 1/20 0.48

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
SCHEMBL5657784 0.96 LMNA (0.55) LMNASMN1; SMN2PTGIRMEN1KMT2A
SCHEMBL5659767 0.92 PTGIR (0.57) LMNASMN1; SMN2PTGIRADRA2AADRA2B
SCHEMBL5656401 0.92 PTGIR (0.61) LMNASMN1; SMN2PTGIRMEN1KMT2A
SCHEMBL5656110 0.91 PTGIR (0.53) LMNASMN1; SMN2PTGIRADRA2AADRA2B
SCHEMBL5659141 0.89 ADRA2A (0.54) LMNASMN1; SMN2PTGIRADRA2AADRA2B
SCHEMBL5656473 0.88 PTGIR (0.71) SMN1; SMN2PTGIRMEN1KMT2AADRA2A
SCHEMBL5656724 0.87 PTGIR (0.53) LMNAPTGIRADRA2AADRA2BADRA2C
SCHEMBL5656678 0.86 ADRA2A (0.56) PTGIRADRA2AADRA2BADRA2C
SCHEMBL5658627 0.86 ADRA2A (0.59) PTGIRADRA2AADRA2BADRA2CGPR65
SCHEMBL5659545 0.86 PTGIR (0.52) LMNAPTGIRADRA2AADRA2BADRA2C

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 LMNA 4822/4885SMN1; SMN2 4654/4885PTGIR 44/4885

“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.