SCHEMBL4049428

SCHEMBL4049428

CN(C)CCOC(=O)c1cc2c(s1)-c1cc(Cl)ccc1Oc1ccccc1-2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.38
MAPT P10636 2/20 0.38
KDM4E B2RXH2 7/20 0.38
GAA P10253 4/20 0.38
MAPK1 P28482 3/20 0.38
ALDH1A1 P00352 4/20 0.37
HPGD P15428 3/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
NOTUM Q6P988 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
BLM P54132 1/20 0.35
PMP22 Q01453 1/20 0.35
GLA P06280 1/20 0.35
TSHR P16473 1/20 0.35
CASP1 P29466 1/20 0.35

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
SCHEMBL4044879 0.94 GAA (0.46) TP53MAPTKDM4EGAAMAPK1
SCHEMBL4047988 0.82 MAPT (0.41) TP53MAPTKDM4EGAAMAPK1
SCHEMBL4037112 0.79 HTR2A (0.38) TP53MAPTMAPK1CYP1A2CYP3A4
SCHEMBL4045889 0.79 CACNA1B (0.43) MAPTKDM4EGAAALDH1A1HPGD
SCHEMBL4040894 0.78 MAPK1 (0.40) TP53MAPTKDM4EGAAMAPK1
SCHEMBL4044717 0.78 NOTUM (0.56) MAPTKDM4EGAAMAPK1ALDH1A1
SCHEMBL4049133 0.78 CACNA1B (0.44) MAPTKDM4EMAPK1ALDH1A1SMN1; SMN2
SCHEMBL4103520 0.77 KDM4E (0.39) TP53MAPTKDM4EGAAALDH1A1
SCHEMBL4048452 0.77 MEN1 (0.43) MAPTKDM4EGAAALDH1A1HPGD
SCHEMBL4044236 0.77 MAOB (0.43) MAPTKDM4EGAAMAPK1ALDH1A1

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 TP53 2540/4885MAPT 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.