SCHEMBL4043584

SCHEMBL4043584

CN(C)CCCOCc1cc2c(s1)-c1ccc(OCCCN(C)C)cc1Oc1ccccc1-2

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.41
CACNA1H O95180 1/20 0.40
CACNA1B Q00975 1/20 0.40
MAOB P27338 3/20 0.40
HRH3 Q9Y5N1 2/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
LSS P48449 1/20 0.38
BCHE P06276 1/20 0.38
MAOA P21397 1/20 0.38
ACHE P22303 1/20 0.38
SIGMAR1 Q99720 1/20 0.37
CXCR1 P25024 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 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
SCHEMBL4044513 0.93 SLC6A4 (0.39) PDK2MAOBMEN1KMT2AMAOA
SCHEMBL6341927 0.93 MAOB (0.43) PDK2CACNA1HCACNA1BMAOB
SCHEMBL4043579 0.93 HDAC3 (0.41) PDK2CACNA1HCACNA1BMAOBHRH3
SCHEMBL4035884 0.92 CACNA1H (0.36) PDK2CACNA1HCACNA1BMAOBHRH3
Hydrochloric Acid SCHEMBL4038349 0.90 CACNA1H (0.35) PDK2CACNA1HCACNA1BMAOBHRH3
SCHEMBL4044507 0.89 PDK2 (0.43) PDK2CACNA1HCACNA1BMAOBMEN1
SCHEMBL5425097 0.88 CACNA1H (0.35) PDK2CACNA1HCACNA1BMAOBHRH3
SCHEMBL6331897 0.87 MAOB (0.41) MAOBHDAC3HDAC1HDAC2
SCHEMBL4044517 0.86 SLC6A4 (0.39) CACNA1HCACNA1BMAOBLSSMAOA
SCHEMBL4042515 0.85 ALDH1A1 (0.37) MAOBBCHEMAOAACHEHDAC3

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

“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.