SCHEMBL4044717

SCHEMBL4044717

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 12/20 0.56
ALDH1A1 P00352 3/20 0.47
HPGD P15428 3/20 0.47
KDM4E B2RXH2 2/20 0.47
MAPK1 P28482 2/20 0.47
GAA P10253 1/20 0.47
HSD17B10 Q99714 1/20 0.47
LMNA P02545 2/20 0.42
HRH4 Q9H3N8 2/20 0.38
MEN1 O00255 1/20 0.38
ABCB11 O95342 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
BLM P54132 1/20 0.38
PMP22 Q01453 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAPT P10636 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
SCHEMBL4045394 0.85 NOTUM (0.48) NOTUMALDH1A1HPGDKDM4EMAPK1
SCHEMBL4043725 0.81 KDM4E (0.48) NOTUMALDH1A1HPGDKDM4EMAPK1
SCHEMBL4053059 0.79 NOTUM (0.50) NOTUMALDH1A1HPGDKDM4EMAPK1
SCHEMBL4049428 0.78 TP53 (0.38) NOTUMALDH1A1HPGDKDM4EMAPK1
SCHEMBL4044879 0.77 GAA (0.46) NOTUMALDH1A1HPGDKDM4EMAPK1
SCHEMBL4036049 0.76 HRH4 (0.39) NOTUMALDH1A1KDM4EMAPK1LMNA
SCHEMBL4036046 0.76 HRH4 (0.39) NOTUMALDH1A1KDM4EMAPK1LMNA
SCHEMBL8170350 0.76 MAPK1 (0.48) NOTUMALDH1A1KDM4EMAPK1LMNA
SCHEMBL4046143 0.75 KDM4E (0.50) NOTUMALDH1A1HPGDKDM4EMAPK1
SCHEMBL5924685 0.74 NOTUM (0.50) NOTUMALDH1A1HPGDKDM4EMAPK1

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 NOTUM 1551/4885ALDH1A1 35/4885HPGD 120/4885

“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.