SCHEMBL4045889

SCHEMBL4045889

CCOC(=O)c1cc2c(s1)-c1cc(OCCCN(C)C)ccc1Oc1ccccc1-2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 2/20 0.43
CACNA1H O95180 1/20 0.43
ALDH1A1 P00352 6/20 0.42
KDM4E B2RXH2 6/20 0.42
HPGD P15428 3/20 0.42
TDP1 Q9NUW8 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
ATM Q13315 1/20 0.39
PDGFRB P09619 1/20 0.39

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
SCHEMBL4044883 0.94 CACNA1B (0.43) CACNA1BCACNA1HALDH1A1KDM4EHPGD
SCHEMBL5414630 0.92 CACNA1B (0.40) CACNA1BCACNA1HALDH1A1KDM4EHPGD
SCHEMBL4048452 0.89 MEN1 (0.43) CACNA1BCACNA1HALDH1A1KDM4EHPGD
SCHEMBL4049133 0.88 CACNA1B (0.44) CACNA1BCACNA1HALDH1A1KDM4EHDAC3
SCHEMBL5435148 0.88 KDM4E (0.44) CACNA1BCACNA1HALDH1A1KDM4EHPGD
SCHEMBL4050340 0.85 CACNA1B (0.42) CACNA1BCACNA1HALDH1A1KDM4EHDAC3
SCHEMBL4045972 0.84 ALDH1A1 (0.48) ALDH1A1KDM4EHPGDTDP1L3MBTL1
SCHEMBL4043269 0.84 KDM4E (0.44) CACNA1BCACNA1HALDH1A1KDM4EHPGD
SCHEMBL4044561 0.84 PPARG (0.50) ALDH1A1KDM4EHPGDTDP1L3MBTL1
SCHEMBL4044879 0.83 GAA (0.46) CACNA1BCACNA1HALDH1A1KDM4EHPGD

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 1492/4885ALDH1A1 35/4885

“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.