SCHEMBL4044268

SCHEMBL4044268

CN(C)CCCOc1ccc2c(c1)Oc1ccccc1-c1cc(C(=O)O)sc1-2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 2/20 0.45
CACNA1H O95180 1/20 0.45
KDM4E B2RXH2 5/20 0.43
ALDH1A1 P00352 4/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PDK2 Q15119 1/20 0.41
MAOB P27338 1/20 0.41
SIGMAR1 Q99720 1/20 0.40
PDGFRB P09619 1/20 0.40
PDGFRA P16234 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.39
NOTUM Q6P988 1/20 0.39
HSD17B10 Q99714 1/20 0.39
LSS P48449 1/20 0.39
MEN1 O00255 1/20 0.39

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
SCHEMBL4043269 0.92 KDM4E (0.44) CACNA1BCACNA1HKDM4EALDH1A1SMN1; SMN2
SCHEMBL4049133 0.90 CACNA1B (0.44) CACNA1BCACNA1HKDM4EALDH1A1SMN1; SMN2
SCHEMBL4044883 0.89 CACNA1B (0.43) CACNA1BCACNA1HKDM4EALDH1A1SMN1; SMN2
SCHEMBL4046658 0.87 CACNA1B (0.44) CACNA1BCACNA1HKDM4EALDH1A1SMN1; SMN2
SCHEMBL4044507 0.85 PDK2 (0.43) CACNA1BCACNA1HKDM4EALDH1A1SMN1; SMN2
SCHEMBL4044236 0.84 MAOB (0.43) CACNA1BCACNA1HKDM4EALDH1A1SMN1; SMN2
SCHEMBL4048452 0.84 MEN1 (0.43) CACNA1BCACNA1HKDM4EALDH1A1PDK2
SCHEMBL4046143 0.82 KDM4E (0.50) KDM4EALDH1A1SMN1; SMN2GAAHPGD
SCHEMBL4043584 0.82 PDK2 (0.41) CACNA1BCACNA1HPDK2MAOBSIGMAR1
SCHEMBL4045889 0.82 CACNA1B (0.43) CACNA1BCACNA1HKDM4EALDH1A1SMN1; SMN2

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 6 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 claimed
US-20060069149-A1 Thiadibenzoazulene derivatives for the treatment of inflammatory diseases PLIVA-ISTRAZIVACKI INSTITUT D.O.O. (HR) 2006-03-30 US 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 CACNA1B 2460/4885CACNA1H 1492/4885KDM4E 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.