SCHEMBL5234902

SCHEMBL5234902

CN(C)CCCOc1ccccc1-c1nc2c([nH]1)-c1ccccc1Sc1ccccc1-2

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 8/20 0.42
PDE4A P27815 5/20 0.42
PDE4B Q07343 5/20 0.42
PDE4C Q08493 5/20 0.42
PDE4D Q08499 5/20 0.42
HTR1B P28222 2/20 0.42
GCGR P47871 1/20 0.41
HTR7 P34969 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
KMT2A Q03164 1/20 0.40
ALOX5 P09917 1/20 0.39
HRH1 P35367 1/20 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
SCHEMBL4693296 0.79 CYP1A2 (0.35) PDE4DHTR1BHTR7KDM4EMEN1
SCHEMBL4694471 0.77 CYP1A2 (0.34) PDE4DHTR1BHTR7KDM4EMEN1
Trifenagrel SCHEMBL31058836 0.74 MEN1 (0.63) GCGRHTR7KDM4EMEN1POLB
Trifenagrel SCHEMBL4428157 0.74 MEN1 (0.63) GCGRHTR7KDM4EMEN1POLB
SCHEMBL4695663 0.74 CHRM2 (0.35) PDE4DHTR7KDM4EMEN1KMT2A
Trifenagrel SCHEMBL11078277 0.74 MEN1 (0.62) GCGRHTR7KDM4EMEN1POLB
SCHEMBL4692954 0.72 BCHE (0.36) PDE4DKDM4EMEN1KMT2AHRH1
SCHEMBL4694104 0.72 SIGMAR1 (0.33) MEN1KMT2AHRH1
SCHEMBL22181937 0.71 CHEK2 (0.53) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL4695791 0.70

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-1684749-B1 USE OF 1,3-DIAZA-DIBENZO[e,h] AZULENES FOR THE MANUFACTURE OF PHARMACEUTICAL FORMULATIONS FOR THE TREATMENT AND PREVENTION OF CENTRAL NERVOUS SYSTEM DISEASES AND DISORDERS GLAXOSMITHKLINE ZAGREB (HR) 2007-09-05 EP disclosed
US-20070129330-A1 1,3-Diaza-dibenzo[e,h]azulenes for the treatment of central nervous system diseases and disorders PLIVA-ISTRAZIVACKI INSTITUT D.O.O. (HR) 2007-06-07 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-20070129330-A1 1,3-Diaza-dibenzo[e,h]azulenes for the treatment of central nervous system diseases and disorders DBH, BCHE, DDT PDE5A 545/4885PDE4A 636/4885PDE4B 913/4885

“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.