SCHEMBL4542980

SCHEMBL4542980

Oc1ccc(SCc2cc(O)cc(O)c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.50
CA2 P00918 2/20 0.42
NR1H2 P55055 1/20 0.42
MIF P14174 1/20 0.42
ACHE P22303 1/20 0.41
ABL1 P00519 1/20 0.39
ABCB1 P08183 1/20 0.39
BCR P11274 1/20 0.39
TYR P14679 1/20 0.38
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
ESR1 P03372 2/20 0.37
ESR2 Q92731 2/20 0.37
RET P07949 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
CYP3A4 P08684 1/20 0.35

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
SCHEMBL3241580 0.84 MEN1 (0.50) CA2NR1H2MIFMEN1NPC1
SCHEMBL8534375 0.83 MIF (0.47) CA2NR1H2MIFTYRMEN1
SCHEMBL7782032 0.82 MEN1 (0.46) CA2NR1H2MIFMEN1NPC1
SCHEMBL338116 0.78 MAOA (0.58) MEN1NPC1KMT2AMAOAMAOB
SCHEMBL30820091 0.77 ESR1 (0.46) LTA4HCA2NR1H2MIFMEN1
SCHEMBL8530817 0.76 EGFR (0.46) ALDH1A1MAOAMAOB
SCHEMBL8746036 0.75 APP (0.61) CA2NR1H2MIFMEN1NPC1
SCHEMBL10408225 0.75 MEN1 (0.53) ACHEMEN1NPC1ALDH1A1RAB9A
SCHEMBL13047673 0.75 MEN1 (0.53) ACHEMEN1NPC1ALDH1A1RAB9A
SCHEMBL8746056 0.75 MAOA (0.61) MEN1NPC1ALDH1A1RAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1670485-A4 TREATMENT OF DISEASES ASSOCIATED WITH THE EGR-1 ENHANCER ELEMENT RESVERLOGIX CORP (CA) 2009-03-11 EP disclosed
EP-1670484-A1 NITRIC OXIDE DONATING DERIVATIVES FOR THE TREATMENT OF CARDIOVASCULAR DISORDERS RESVERLOGIX CORP. (CA) 2006-06-21 EP disclosed
EP-1670485-A1 TREATMENT OF DISEASES ASSOCIATED WITH THE EGR-1 ENHANCER ELEMENT RESVERLOGIX CORP. (CA) 2006-06-21 EP disclosed
WO-2005034960-A1 TREATMENT OF DISEASES ASSOCIATED WITH THE EGR-1 ENHANCER ELEMENT RESVERLOGIX CORP. (CA) 2005-04-21 WO disclosed
US-20050080024-A1 Nitric oxide donating derivatives for the treatment of cardiovascular disorders RESVERLOGIX CORP. (CA) 2005-04-14 US disclosed
US-20050080021-A1 Nitric oxide donating derivatives of stilbenes, polyphenols and flavonoids for the treatment of cardiovascular disorders RESVERLOGIX CORP. (CA) 2005-04-14 US disclosed
WO-2005032559-A1 NITRIC OXIDE DONATING DERIVATIVES FOR THE TREATMENT OF CARDIOVASCULAR DISORDERS RESVERLOGIX CORP. (CA) 2005-04-14 WO 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-20050080024-A1 Nitric oxide donating derivatives for the treatment of cardiovascular disorders NOS2, NOS3, NOS1 LTA4H 2310/4885CA2 4145/4885NR1H2 44/4885
US-20050080021-A1 Nitric oxide donating derivatives of stilbenes, polyphenols and flavonoids for the treatment of cardiovascular disorders NOS2, NOS1, NOS3 LTA4H 2201/4885CA2 4298/4885NR1H2 52/4885

“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.