SCHEMBL4042054

SCHEMBL4042054

COc1ccc2c(c1)Oc1ccccc1-c1ccsc1-2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.43
MAPT P10636 5/20 0.43
KDM4E B2RXH2 4/20 0.43
NPC1 O15118 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
TRPA1 O75762 1/20 0.42
ALDH1A1 P00352 2/20 0.39
KMT2A Q03164 2/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
MAOB P27338 4/20 0.38
GPR3 P46089 1/20 0.38
GAA P10253 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
ACHE P22303 1/20 0.37
HPGD P15428 1/20 0.37
ALOX12 P18054 1/20 0.37
MEN1 O00255 1/20 0.36
RECQL P46063 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
SCHEMBL4049705 0.90 MAPT (0.44) RAB9AMAPTKDM4ENPC1SMN1; SMN2
SCHEMBL4044255 0.80 PDK2 (0.43) KDM4ESMN1; SMN2ALDH1A1KMT2AMAOB
SCHEMBL4040871 0.78 ESR1 (0.50) RAB9AMAPTKDM4ETRPA1ALDH1A1
SCHEMBL4050923 0.77 SLC6A4 (0.33)
SCHEMBL4050922 0.76 PDK2 (0.48) RAB9AMAPTKDM4ENPC1
SCHEMBL806603 0.76 TRPA1 (0.48) RAB9AMAPTKDM4ENPC1SMN1; SMN2
SCHEMBL4046143 0.75 KDM4E (0.50) RAB9AMAPTKDM4ESMN1; SMN2TRPA1
SCHEMBL4049390 0.71 ESR1 (0.47) RAB9AMAPTKDM4ETRPA1ALDH1A1
SCHEMBL16380855 0.71 KDM4E (0.59) RAB9AMAPTKDM4ENPC1TRPA1
SCHEMBL4046992 0.70 ALDH1A1 (0.47) RAB9AMAPTKDM4ENPC1SMN1; SMN2

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 disclosed
US-20060069149-A1 Thiadibenzoazulene derivatives for the treatment of inflammatory diseases PLIVA-ISTRAZIVACKI INSTITUT D.O.O. (HR) 2006-03-30 US disclosed
EP-1603921-A1 THIADIBENZOAZULENE DERIVATIVES FOR THE TREATMENT OF INFLAMMATORY DISEASES PLIVA-ISTRAZIVACKI INSTITUT d.o.o. (HR) 2005-12-14 EP disclosed
WO-2004078763-A1 THIADIBENZOAZULENE DERIVATIVES FOR THE TREATMENT OF INFLAMMATORY DISEASES PLIVA-ISTRAZIVACKI INSTITUT D.O.O. (HR) 2004-09-16 WO 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 RAB9A 2415/4885MAPT 1841/4885KDM4E 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.