SCHEMBL4044517

SCHEMBL4044517

CN(C)CCCOCc1cc2c(s1)-c1cc(OCc3ccccc3)ccc1Oc1ccccc1-2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.39
MCHR1 Q99705 1/20 0.38
LTB4R Q15722 2/20 0.37
LTB4R2 Q9NPC1 2/20 0.37
LTA4H P09960 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
HTR1D P28221 1/20 0.36
TRPM8 Q7Z2W7 1/20 0.36
MAOB P27338 2/20 0.36
MAOA P21397 1/20 0.36
CACNA1H O95180 1/20 0.36
CACNA1B Q00975 1/20 0.36
LSS P48449 1/20 0.36
EGFR P00533 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
SCHEMBL4044513 0.94 SLC6A4 (0.39) SLC6A4MCHR1LTB4RLTB4R2LTA4H
SCHEMBL4043579 0.93 HDAC3 (0.41) HDAC3HDAC1HDAC2MAOBMAOA
SCHEMBL4043584 0.86 PDK2 (0.41) HDAC3HDAC1HDAC2MAOBMAOA
SCHEMBL4035884 0.86 CACNA1H (0.36) SLC6A4MAOBMAOACACNA1HCACNA1B
Hydrochloric Acid SCHEMBL4038349 0.85 CACNA1H (0.35) SLC6A4MAOBMAOACACNA1HCACNA1B
SCHEMBL5425097 0.84 CACNA1H (0.35) MAOBMAOACACNA1HCACNA1BLSS
SCHEMBL4037140 0.83 MAPK1 (0.36) SLC6A4MAOA
SCHEMBL4046594 0.83 CYP1A2 (0.35) SLC6A4MAOBMAOACACNA1HCACNA1B
Hydrochloric Acid SCHEMBL4039414 0.82 CYP1A2 (0.34) SLC6A4MAOBMAOACACNA1HCACNA1B
SCHEMBL4046122 0.82 CACNA1B (0.43) HDAC3HDAC1HDAC2MAOBMAOA

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 SLC6A4 4552/4885MCHR1 2218/4885LTB4R 20/4885

“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.