SCHEMBL4046122

SCHEMBL4046122

CN(C)CCCOc1ccc2c(c1)-c1sc(CO)cc1-c1ccccc1O2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 2/20 0.43
CACNA1H O95180 1/20 0.43
PDK2 Q15119 1/20 0.42
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
LSS P48449 1/20 0.40
MAOB P27338 3/20 0.39
BCHE P06276 1/20 0.39
MAOA P21397 1/20 0.39
ACHE P22303 1/20 0.39
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
SIGMAR1 Q99720 1/20 0.39
PDGFRB P09619 1/20 0.39
PDGFRA P16234 1/20 0.39
CXCR1 P25024 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL4044507 0.93 PDK2 (0.43) CACNA1BCACNA1HPDK2LSSMAOB
SCHEMBL4043579 0.88 HDAC3 (0.41) CACNA1BCACNA1HPDK2HDAC3HDAC1
SCHEMBL4044517 0.82 SLC6A4 (0.39) CACNA1BCACNA1HHDAC3HDAC1HDAC2
SCHEMBL4045889 0.81 CACNA1B (0.43) CACNA1BCACNA1HPDK2HDAC3HDAC1
SCHEMBL4043584 0.81 PDK2 (0.41) CACNA1BCACNA1HPDK2HDAC3HDAC1
SCHEMBL4042886 0.80 MAOB (0.43) PDK2MAOBMAOAALDH1A1SMN1; SMN2
SCHEMBL4050340 0.80 CACNA1B (0.42) CACNA1BCACNA1HPDK2HDAC3HDAC1
SCHEMBL4090920 0.79 KDM4E (0.36) CACNA1BCACNA1HKDM4EALDH1A1SMN1; SMN2
SCHEMBL4044268 0.78 CACNA1B (0.45) CACNA1BCACNA1HPDK2HDAC3HDAC1
SCHEMBL4035884 0.78 CACNA1H (0.36) CACNA1BCACNA1HPDK2LSSMAOB

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 CACNA1B 2460/4885CACNA1H 1492/4885PDK2 905/4885

“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.