SCHEMBL4049705

SCHEMBL4049705

COc1ccc2c(c1)-c1sccc1-c1ccccc1O2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.44
GAA P10253 2/20 0.44
KDM4E B2RXH2 2/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
ALOX12 P18054 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
TRPA1 O75762 1/20 0.40
PPIB P23284 1/20 0.39
ACHE P22303 1/20 0.38
HTR2A P28223 2/20 0.37
HTR2C P28335 2/20 0.37
ABCB1 P08183 1/20 0.36
AR P10275 1/20 0.36
ABCG2 Q9UNQ0 1/20 0.36
HDAC3 O15379 1/20 0.36
TUBB4A P04350 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
SCHEMBL4042054 0.90 RAB9A (0.43) MAPTGAAKDM4ENPC1RAB9A
SCHEMBL4049390 0.78 ESR1 (0.47) MAPTGAAKDM4ERAB9AALDH1A1
SCHEMBL4043725 0.74 KDM4E (0.48) MAPTGAAKDM4ENPC1RAB9A
SCHEMBL22261524 0.73 PDK2 (0.39) MAPTGAAKDM4ERAB9ASMN1; SMN2
SCHEMBL20829778 0.72 HTR2A (0.36) MAPTGAAKDM4ENPC1RAB9A
SCHEMBL4040871 0.71 ESR1 (0.50) MAPTKDM4ERAB9AALDH1A1HPGD
SCHEMBL4044255 0.71 PDK2 (0.43) KDM4ESMN1; SMN2ALDH1A1ACHEMEN1
SCHEMBL18417133 0.70 TRPA1 (0.57) MAPTGAAKDM4ENPC1RAB9A
SCHEMBL22413501 0.70 DRD1 (0.38) MAPTGAAKDM4ENPC1RAB9A
SCHEMBL2113674 0.70 GAA (0.48) MAPTGAAKDM4ENPC1RAB9A

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 MAPT 1841/4885GAA 697/4885KDM4E 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.