SCHEMBL4044236

SCHEMBL4044236

COc1ccc2c(c1)Oc1ccccc1-c1cc(C(=O)OCCCN(C)C)sc1-2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.43
ALDH1A1 P00352 4/20 0.40
MAPT P10636 3/20 0.40
CACNA1H O95180 1/20 0.39
CACNA1B Q00975 1/20 0.39
MAPK1 P28482 2/20 0.39
HSD17B10 Q99714 2/20 0.39
PTPN1 P18031 1/20 0.38
POLB P06746 2/20 0.38
KDM4E B2RXH2 2/20 0.37
GAA P10253 2/20 0.37
HPGD P15428 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
LMNA P02545 1/20 0.37
GLA P06280 1/20 0.37
TSHR P16473 1/20 0.37
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 0.37
ATM Q13315 1/20 0.37
L3MBTL1 Q9Y468 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
SCHEMBL4047988 0.94 MAPT (0.41) MAOBALDH1A1MAPTMAPK1HSD17B10
SCHEMBL4049133 0.94 CACNA1B (0.44) MAOBALDH1A1MAPTCACNA1HCACNA1B
SCHEMBL4040894 0.89 MAPK1 (0.40) ALDH1A1MAPTCACNA1HCACNA1BMAPK1
SCHEMBL4044883 0.88 CACNA1B (0.43) MAOBALDH1A1MAPTCACNA1HCACNA1B
SCHEMBL4043269 0.88 KDM4E (0.44) MAOBALDH1A1CACNA1HCACNA1BMAPK1
SCHEMBL4046992 0.85 ALDH1A1 (0.47) MAOBALDH1A1MAPTMAPK1HSD17B10
SCHEMBL4044268 0.84 CACNA1B (0.45) MAOBALDH1A1CACNA1HCACNA1BMAPK1
SCHEMBL4048452 0.83 MEN1 (0.43) MAOBALDH1A1MAPTCACNA1HCACNA1B
SCHEMBL4044879 0.83 GAA (0.46) ALDH1A1MAPTCACNA1HCACNA1BMAPK1
SCHEMBL4045889 0.81 CACNA1B (0.43) MAOBALDH1A1MAPTCACNA1HCACNA1B

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 2 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

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 MAOB 1459/4885ALDH1A1 35/4885MAPT 1841/4885

“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.