SCHEMBL4044507

SCHEMBL4044507

CN(C)CCCOc1ccc2c(c1)Oc1ccccc1-c1cc(CO)sc1-2

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 2/20 0.43
CACNA1B Q00975 2/20 0.43
CACNA1H O95180 1/20 0.43
MAOB P27338 3/20 0.40
LSS P48449 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
BCHE P06276 1/20 0.39
MAOA P21397 1/20 0.39
ACHE P22303 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
PDGFRB P09619 1/20 0.38
PDGFRA P16234 1/20 0.38
CXCR1 P25024 1/20 0.38

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
SCHEMBL4046122 0.93 CACNA1B (0.43) PDK2CACNA1BCACNA1HMAOBLSS
SCHEMBL4043584 0.89 PDK2 (0.41) PDK2CACNA1BCACNA1HMAOBLSS
SCHEMBL4044268 0.85 CACNA1B (0.45) PDK2CACNA1BCACNA1HMAOBLSS
SCHEMBL4046658 0.83 CACNA1B (0.44) PDK2CACNA1BCACNA1HMAOBLSS
SCHEMBL4043269 0.83 KDM4E (0.44) PDK2CACNA1BCACNA1HMAOBMEN1
SCHEMBL4049133 0.83 CACNA1B (0.44) PDK2CACNA1BCACNA1HMAOBMEN1
SCHEMBL4044513 0.82 SLC6A4 (0.39) PDK2MAOBMEN1KMT2AMAOA
SCHEMBL4044255 0.82 PDK2 (0.43) PDK2CACNA1BCACNA1HMAOBLSS
SCHEMBL4044883 0.82 CACNA1B (0.43) PDK2CACNA1BCACNA1HMAOBMEN1
SCHEMBL6341927 0.82 MAOB (0.43) PDK2CACNA1BCACNA1HMAOB

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
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-A1 THIADIBENZOAZULENE DERIVATIVES FOR THE TREATMENT OF INFLAMMATORY DISEASES PLIVA-ISTRAZIVACKI INSTITUT d.o.o. (HR) 2005-12-14 EP claimed
WO-2004078763-A1 THIADIBENZOAZULENE DERIVATIVES FOR THE TREATMENT OF INFLAMMATORY DISEASES PLIVA-ISTRAZIVACKI INSTITUT D.O.O. (HR) 2004-09-16 WO 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 PDK2 905/4885CACNA1B 2460/4885CACNA1H 1492/4885

“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.