SCHEMBL4040894

SCHEMBL4040894

CN(C)CCCOC(=O)c1cc2c(s1)-c1ccc(O)cc1Oc1ccccc1-2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.40
HSD17B10 Q99714 2/20 0.40
ALDH1A1 P00352 5/20 0.39
MAPT P10636 3/20 0.39
KDM4E B2RXH2 4/20 0.38
GAA P10253 3/20 0.38
HPGD P15428 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.36
GLA P06280 1/20 0.36
TSHR P16473 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
ATM Q13315 1/20 0.36
CACNA1H O95180 1/20 0.36
CACNA1B Q00975 1/20 0.36
TP53 P04637 4/20 0.35
TDP1 Q9NUW8 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33

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
SCHEMBL4049133 0.90 CACNA1B (0.44) MAPK1HSD17B10ALDH1A1MAPTKDM4E
SCHEMBL4044236 0.89 MAOB (0.43) MAPK1HSD17B10ALDH1A1MAPTKDM4E
SCHEMBL4045388 0.85 ALDH1A1 (0.49) MAPK1HSD17B10ALDH1A1MAPTKDM4E
SCHEMBL4044879 0.85 GAA (0.46) MAPK1HSD17B10ALDH1A1MAPTKDM4E
SCHEMBL4044883 0.84 CACNA1B (0.43) ALDH1A1MAPTKDM4EGAAHPGD
SCHEMBL4047988 0.83 MAPT (0.41) MAPK1HSD17B10ALDH1A1MAPTKDM4E
SCHEMBL4043269 0.82 KDM4E (0.44) MAPK1HSD17B10ALDH1A1KDM4EGAA
SCHEMBL4044268 0.80 CACNA1B (0.45) MAPK1HSD17B10ALDH1A1KDM4EGAA
SCHEMBL4048452 0.79 MEN1 (0.43) ALDH1A1MAPTKDM4EGAAHPGD
SCHEMBL4045889 0.79 CACNA1B (0.43) ALDH1A1MAPTKDM4EGAAHPGD

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1546150-B1 PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2009-03-04 EP 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
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 MAPK1 309/4885HSD17B10 317/4885ALDH1A1 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.