SCHEMBL4048452

SCHEMBL4048452

CCOC(=O)c1cc2c(s1)-c1ccc(OCCN(C)C)cc1Oc1ccccc1-2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
KDM4E B2RXH2 5/20 0.42
HPGD P15428 4/20 0.42
ALDH1A1 P00352 4/20 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
GAA P10253 2/20 0.39
NPC1 O15118 1/20 0.39
GLA P06280 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
ATM Q13315 1/20 0.39
PDK2 Q15119 1/20 0.38
MAOB P27338 1/20 0.38
CACNA1H O95180 1/20 0.37
CACNA1B Q00975 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
SCHEMBL4044883 0.95 CACNA1B (0.43) MEN1KMT2AKDM4EHPGDALDH1A1
SCHEMBL5435148 0.91 KDM4E (0.44) MEN1KMT2AKDM4EHPGDALDH1A1
SCHEMBL4049133 0.90 CACNA1B (0.44) MEN1KMT2AKDM4EALDH1A1HDAC3
SCHEMBL4045889 0.89 CACNA1B (0.43) MEN1KMT2AKDM4EHPGDALDH1A1
SCHEMBL5414630 0.87 CACNA1B (0.40) MEN1KMT2AKDM4EHPGDALDH1A1
SCHEMBL4047988 0.87 MAPT (0.41) KDM4EHPGDALDH1A1TDP1L3MBTL1
SCHEMBL4043269 0.86 KDM4E (0.44) MEN1KMT2AKDM4EHPGDALDH1A1
SCHEMBL4045987 0.85 HDAC3 (0.41) MEN1KMT2AKDM4EHPGDALDH1A1
SCHEMBL4046992 0.85 ALDH1A1 (0.47) MEN1KMT2AKDM4EHPGDALDH1A1
SCHEMBL4043815 0.85 PPARG (0.49) MEN1KMT2AKDM4EHPGDALDH1A1

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 6 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-A1 THIADIBENZOAZULENE DERIVATIVES FOR THE TREATMENT OF INFLAMMATORY DISEASES PLIVA-ISTRAZIVACKI INSTITUT d.o.o. (HR) 2005-12-14 EP claimed
WO-2004078763-A1 THIADIBENZOAZULENE DERIVATIVES FOR THE TREATMENT OF INFLAMMATORY DISEASES PLIVA-ISTRAZIVACKI INSTITUT D.O.O. (HR) 2004-09-16 WO 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 MEN1 2525/4885KMT2A 4729/4885KDM4E 3071/4885

“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.