SCHEMBL4044513

SCHEMBL4044513

CN(C)CCCOCc1cc2c(s1)-c1ccc(OCc3ccccc3)cc1Oc1ccccc1-2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.39
MCHR1 Q99705 1/20 0.37
MAOB P27338 5/20 0.37
MAOA P21397 2/20 0.37
LTB4R Q15722 2/20 0.36
LTB4R2 Q9NPC1 2/20 0.36
LTA4H P09960 1/20 0.36
CA2 P00918 1/20 0.36
CA5A P35218 1/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
NFKB1 P19838 1/20 0.36
GRM5 P41594 1/20 0.36
RAB9A P51151 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
PDK2 Q15119 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 0.94 SLC6A4 (0.39) SLC6A4MCHR1MAOBMAOALTB4R
SCHEMBL4043584 0.93 PDK2 (0.41) MAOBMAOAPDK2MEN1KMT2A
SCHEMBL6341927 0.89 MAOB (0.43) MAOBPDK2
SCHEMBL4035884 0.87 CACNA1H (0.36) SLC6A4MAOBMAOAALDH1A1HPGD
SCHEMBL4043579 0.86 HDAC3 (0.41) MAOBMAOAALDH1A1SMN1; SMN2PDK2
Hydrochloric Acid SCHEMBL4038349 0.86 CACNA1H (0.35) SLC6A4MAOBMAOAALDH1A1HPGD
SCHEMBL5425097 0.83 CACNA1H (0.35) MAOBMAOAPDK2
SCHEMBL6331897 0.82 MAOB (0.41) MAOB
SCHEMBL4044507 0.82 PDK2 (0.43) MAOBMAOAALDH1A1SMN1; SMN2PDK2
SCHEMBL4042515 0.81 ALDH1A1 (0.37) SLC6A4MAOBMAOAALDH1A1HPGD

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 2218/4885MAOB 1459/4885

“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.