SCHEMBL4043579

SCHEMBL4043579

CN(C)CCCOCc1cc2c(s1)-c1cc(OCCCN(C)C)ccc1Oc1ccccc1-2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
CACNA1B Q00975 2/20 0.41
CACNA1H O95180 1/20 0.41
HRH3 Q9Y5N1 2/20 0.39
PDK2 Q15119 1/20 0.39
LSS P48449 1/20 0.39
MAOB P27338 3/20 0.39
BCHE P06276 1/20 0.39
MAOA P21397 1/20 0.39
ACHE P22303 1/20 0.39
SIGMAR1 Q99720 1/20 0.38
CXCR1 P25024 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
PDGFRB P09619 1/20 0.36

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
SCHEMBL4044517 0.93 SLC6A4 (0.39) HDAC3HDAC1HDAC2CACNA1BCACNA1H
SCHEMBL4043584 0.93 PDK2 (0.41) HDAC3HDAC1HDAC2CACNA1BCACNA1H
SCHEMBL4035884 0.90 CACNA1H (0.36) CACNA1BCACNA1HHRH3PDK2LSS
Hydrochloric Acid SCHEMBL4038349 0.89 CACNA1H (0.35) CACNA1BCACNA1HHRH3PDK2LSS
SCHEMBL4046122 0.88 CACNA1B (0.43) HDAC3HDAC1HDAC2CACNA1BCACNA1H
SCHEMBL5425097 0.88 CACNA1H (0.35) CACNA1BCACNA1HHRH3PDK2LSS
SCHEMBL4046594 0.88 CYP1A2 (0.35) CACNA1BCACNA1HMAOBBCHEMAOA
SCHEMBL4037140 0.88 MAPK1 (0.36) HRH3MAOAACHECXCR1MEN1
Hydrochloric Acid SCHEMBL4039414 0.87 CYP1A2 (0.34) CACNA1BCACNA1HMAOBBCHEMAOA
SCHEMBL4044513 0.86 SLC6A4 (0.39) PDK2MAOBMAOAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1603921-B1 THIADIBENZOAZULENE DERIVATIVES FOR THE TREATMENT OF INFLAMMATORY DISEASES GLAXOSMITHKLINE ZAGREB (HR) 2009-06-17 EP claimed
US-20060069149-A1 Thiadibenzoazulene derivatives for the treatment of inflammatory diseases PLIVA-ISTRAZIVACKI INSTITUT D.O.O. (HR) 2006-03-30 US claimed
EP-1603921-B1 THIADIBENZOAZULENE DERIVATIVES FOR THE TREATMENT OF INFLAMMATORY DISEASES GLAXOSMITHKLINE ZAGREB (HR) 2009-06-17 EP disclosed
US-20060069149-A1 Thiadibenzoazulene derivatives for the treatment of inflammatory diseases PLIVA-ISTRAZIVACKI INSTITUT D.O.O. (HR) 2006-03-30 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-20060069149-A1 Thiadibenzoazulene derivatives for the treatment of inflammatory diseases IL1B, IL1A, TNF HDAC3 3739/4885HDAC1 1880/4885HDAC2 3231/4885

“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.