SCHEMBL5411950

SCHEMBL5411950

CN(C)Cc1cc2c(s1)-c1cc3c(cc1Oc1ccccc1-2)CCCC3

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SETD7 Q8WTS6 1/20 0.32
TP53 P04637 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31
PARP1 P09874 1/20 0.30
PIK3CA P42336 2/20 0.30

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
SCHEMBL5422900 0.85 CYP2A6 (0.33) SETD7TP53KDM4EALDH1A1GAA
SCHEMBL5421711 0.85 KDM4E (0.34) TP53KDM4EALDH1A1GAAHPGD
SCHEMBL5411979 0.83 MAOB (0.32) TP53KDM4EALDH1A1GAAHPGD
SCHEMBL5421630 0.83 PIK3CA (0.32) PIK3CA
SCHEMBL5424578 0.82
SCHEMBL5424586 0.81 PIK3CA (0.31) PIK3CA
SCHEMBL5426608 0.75 LTA4H (0.40) SETD7KDM4E
SCHEMBL5426392 0.74 ESR1 (0.40) KDM4E
SCHEMBL5424297 0.73 KDM4E (0.55) TP53KDM4EALDH1A1GAAHPGD
SCHEMBL5423292 0.73 POLB (0.36) KDM4E

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070173499-A1 Use of benzonaphthoazulenes for the manufacture of pharmaceutical formulations for the treatment and prevention of central nervous system diseases and disorders GLAXOSMITHKLINE ISTRAZIVACKI CENTER ZAGREB D.O.O. (HR) 2007-07-26 US claimed
US-20070173499-A1 Use of benzonaphthoazulenes for the manufacture of pharmaceutical formulations for the treatment and prevention of central nervous system diseases and disorders GLAXOSMITHKLINE ISTRAZIVACKI CENTER ZAGREB D.O.O. (HR) 2007-07-26 US disclosed
EP-1708696-A1 USE OF BENZONAPHTHOAZULENES FOR THE MANUFACTURE OF PHARMACEUTICAL FORMULATIONS FOR THE TREATMENT AND PREVENTION OF CENTRAL NERVOUS SYSTEM DISEASES AND DISORDERS GlaxoSmithKline istrazivacki centar Zagreb d.o.o. (HR) 2006-10-11 EP disclosed
WO-2005072728-A1 USE OF BENZONAPHTHOAZULENES FOR THE MANUFACTURE OF PHARMACEUTICAL FORMULATIONS FOR THE TREATMENT AND PREVENTION OF CENTRAL NERVOUS SYSTEM DISEASES AND DISORDERS GLAXOSMITHKLINE ISTRAZIVACKI CENTAR ZAGREB D.O.O. (HR) 2005-08-11 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-20070173499-A1 Use of benzonaphthoazulenes for the manufacture of pharmaceutical formulations for the treatment and prevention of central nervous system diseases and disorders BCHE, GAP43, DBH SETD7 4358/4885TP53 4150/4885KDM4E 1637/4885

“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.