SCHEMBL6763181

SCHEMBL6763181

O=C(/C=C/c1ccccc1Sc1ccc(Cl)cc1Cl)NCCCCO

nearest known ligand 0.98

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 16/20 0.98
ICAM1 P05362 16/20 0.98
ITGAL P20701 16/20 0.98
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
LMNA P02545 2/20 0.51
MAPT P10636 2/20 0.51
HTT P42858 1/20 0.51
HPGD P15428 1/20 0.49
MAPK1 P28482 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
HDAC1 Q13547 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 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
SCHEMBL6763184 1.00 ITGB2 (0.98) ITGB2ICAM1ITGALMEN1KMT2A
SCHEMBL5830932 0.99 ITGB2 (1.00) ITGB2ICAM1ITGALMEN1KMT2A
SCHEMBL7675648 0.86 ITGB2 (0.77) ITGB2ICAM1ITGALKMT2ALMNA
SCHEMBL7675660 0.86 ITGB2 (0.77) ITGB2ICAM1ITGALKMT2ALMNA
SCHEMBL6759557 0.86 ITGB2 (0.74) ITGB2ICAM1ITGALMEN1KMT2A
SCHEMBL6759553 0.86 ITGB2 (0.74) ITGB2ICAM1ITGALMEN1KMT2A
SCHEMBL6765914 0.85 ITGB2 (0.76) ITGB2ICAM1ITGALMEN1KMT2A
SCHEMBL6765916 0.85 ITGB2 (0.76) ITGB2ICAM1ITGALMEN1KMT2A
SCHEMBL5830227 0.85 ITGB2 (1.00) ITGB2ICAM1ITGAL
SCHEMBL1193319 0.81 MEN1 (0.71) ITGB2ICAM1ITGALMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040192680-A1 Novel amides that activate soluble guanylate cyclase ABBOTT LABORATORIES 2004-09-30 US claimed
WO-2004060859-A2 NOVEL AMIDES THAT ACTIVATE SOLUBLE GUANYLATE CYCLASE ABBOTT LABORATORIES (US) 2004-07-22 WO claimed
US-20040121994-A1 Novel amides that activate soluble guanylate cyclase ABBOTT LABORATORIES 2004-06-24 US claimed
US-20040192680-A1 Novel amides that activate soluble guanylate cyclase ABBOTT LABORATORIES 2004-09-30 US disclosed
WO-2004060859-A2 NOVEL AMIDES THAT ACTIVATE SOLUBLE GUANYLATE CYCLASE ABBOTT LABORATORIES (US) 2004-07-22 WO disclosed
US-20040121994-A1 Novel amides that activate soluble guanylate cyclase ABBOTT LABORATORIES 2004-06-24 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 (2 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-20040121994-A1 Novel amides that activate soluble guanylate cyclase GUCY1A1, GUCY1B1, GUCY1A2 ITGB2 4296/4885ICAM1 2909/4885ITGAL 4116/4885
US-20040192680-A1 Novel amides that activate soluble guanylate cyclase GUCY1A1, GUCY1B1, GUCY1A2 ITGB2 4296/4885ICAM1 2909/4885ITGAL 4116/4885

“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.