SCHEMBL4040871

SCHEMBL4040871

Oc1ccc2c(c1)Oc1ccccc1-c1ccsc1-2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.50
ESR2 Q92731 1/20 0.50
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
USP2 O75604 1/20 0.39
POLB P06746 1/20 0.39
HSP90AA1 P07900 1/20 0.39
HSP90AB1 P08238 1/20 0.39
BRCA1 P38398 1/20 0.39
YWHAG P61981 1/20 0.39
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 1/20 0.39
HSD17B10 Q99714 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
TRPA1 O75762 1/20 0.38
MAPT P10636 2/20 0.38
PTPRC P08575 1/20 0.38

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
SCHEMBL4049390 0.89 ESR1 (0.47) ESR1ESR2MEN1KMT2ATDP1
SCHEMBL4042054 0.78 RAB9A (0.43) MEN1KMT2ATDP1L3MBTL1TRPA1
SCHEMBL4053059 0.73 NOTUM (0.50) MEN1KMT2ATDP1USP2POLB
SCHEMBL24042749 0.71 CDK5 (0.46) MEN1KMT2ATDP1USP2POLB
SCHEMBL4049705 0.71 MAPT (0.44) MEN1KMT2ATDP1TRPA1MAPT
SCHEMBL2114477 0.68 MAOA (0.49) ESR1ESR2MEN1KMT2ATDP1
SCHEMBL16376428 0.68 MAPK1 (0.65) ESR1ESR2MEN1KMT2ATDP1
SCHEMBL26026796 0.67 MAOA (0.44) MEN1KMT2ATDP1USP2POLB
SCHEMBL25940827 0.67 CYP1A2 (0.47) ESR1ESR2MEN1KMT2ATDP1
SCHEMBL18417129 0.66 AHR (0.54) MEN1KMT2ATDP1BRCA1HSD17B10

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-1689720-B1 PYRAZOLYL DERIVATIVES IN THE FORM OF DRUGS FOR TREATING ACUTE OR CHRONIC NEURONAL REGRESSIONS AVENTIS PHARMA SA (FR) 2009-04-15 EP claimed
EP-1603921-B1 THIADIBENZOAZULENE DERIVATIVES FOR THE TREATMENT OF INFLAMMATORY DISEASES GLAXOSMITHKLINE ZAGREB (HR) 2009-06-17 EP disclosed
EP-1689720-B1 PYRAZOLYL DERIVATIVES IN THE FORM OF DRUGS FOR TREATING ACUTE OR CHRONIC NEURONAL REGRESSIONS AVENTIS PHARMA SA (FR) 2009-04-15 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 ESR1 2500/4885ESR2 1779/4885MEN1 2525/4885

“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.