SCHEMBL4044255

SCHEMBL4044255

CN(C)CCCOc1ccc2c(c1)Oc1ccccc1-c1ccsc1-2

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CACNA1H O95180 1/20 0.43
CACNA1B Q00975 1/20 0.43
MAOB P27338 5/20 0.42
MAOA P21397 2/20 0.42
BCHE P06276 1/20 0.42
ACHE P22303 1/20 0.42
LSS P48449 1/20 0.41
SIGMAR1 Q99720 1/20 0.40
CXCR1 P25024 1/20 0.39
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38

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
SCHEMBL4050922 0.83 PDK2 (0.48) PDK2CACNA1HCACNA1BKDM4E
SCHEMBL4044507 0.82 PDK2 (0.43) PDK2MEN1KMT2ACACNA1HCACNA1B
SCHEMBL4043584 0.81 PDK2 (0.41) PDK2MEN1KMT2ACACNA1HCACNA1B
SCHEMBL4042054 0.80 RAB9A (0.43) MEN1KMT2AMAOBACHEKDM4E
SCHEMBL4044268 0.79 CACNA1B (0.45) PDK2MEN1KMT2ACACNA1HCACNA1B
SCHEMBL4046658 0.78 CACNA1B (0.44) PDK2MEN1KMT2ACACNA1HCACNA1B
SCHEMBL4043269 0.78 KDM4E (0.44) PDK2MEN1KMT2ACACNA1HCACNA1B
SCHEMBL4049133 0.78 CACNA1B (0.44) PDK2MEN1KMT2ACACNA1HCACNA1B
SCHEMBL4044883 0.76 CACNA1B (0.43) PDK2MEN1KMT2ACACNA1HCACNA1B
SCHEMBL4044513 0.75 SLC6A4 (0.39) PDK2MEN1KMT2AMAOBMAOA

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-A1 THIADIBENZOAZULENE DERIVATIVES FOR THE TREATMENT OF INFLAMMATORY DISEASES PLIVA-ISTRAZIVACKI INSTITUT d.o.o. (HR) 2005-12-14 EP claimed
WO-2004078763-A1 THIADIBENZOAZULENE DERIVATIVES FOR THE TREATMENT OF INFLAMMATORY DISEASES PLIVA-ISTRAZIVACKI INSTITUT D.O.O. (HR) 2004-09-16 WO 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

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 PDK2 905/4885MEN1 2525/4885KMT2A 4729/4885

“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.