SCHEMBL5436718

SCHEMBL5436718

C[Si](C)(C)CCOCn1c(C(O)C(O)c2nc3c(n2COCC[Si](C)(C)C)-c2cc(Cl)ccc2Oc2ccccc2-3)nc2c1-c1ccccc1Oc1ccc(Cl)cc1-2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F11 P03951 1/20 0.38
MAPK1 P28482 1/20 0.35
NPC1 O15118 1/20 0.33
HRH4 Q9H3N8 5/20 0.33
DRD2 P14416 5/20 0.32
DRD4 P21917 5/20 0.32
HRH2 P25021 3/20 0.32
HRH1 P35367 3/20 0.32
ADRB2 P07550 2/20 0.32
CHRM2 P08172 2/20 0.32
CHRM4 P08173 2/20 0.32
HTR1A P08908 2/20 0.32
CHRM5 P08912 2/20 0.32
ADRA2A P08913 2/20 0.32
ADORA3 P0DMS8 2/20 0.32
CHRM1 P11229 2/20 0.32
ADRA2B P18089 2/20 0.32
ADRA2C P18825 2/20 0.32
CHRM3 P20309 2/20 0.32
DRD1 P21728 2/20 0.32

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
SCHEMBL4696667 0.85 MAPK1 (0.36) F11MAPK1NPC1HRH4DRD2
SCHEMBL4696318 0.85 MAPK1 (0.36) F11MAPK1NPC1HRH4DRD2
SCHEMBL4696998 0.82 MAPK1 (0.35) F11MAPK1NPC1HRH4DRD2
SCHEMBL4696453 0.82 MAPK1 (0.35) F11MAPK1NPC1HRH4DRD2
SCHEMBL4694428 0.79 MAPK1 (0.33) F11MAPK1HRH4DRD2DRD4
SCHEMBL4694084 0.79 MAPK1 (0.33) F11MAPK1NPC1HRH4DRD2
SCHEMBL4693179 0.79 MAPK1 (0.33) F11MAPK1NPC1HRH4DRD2
SCHEMBL4695749 0.77 MAPK1 (0.32) MAPK1CHRM2HTR1AADRA2ADRD1
SCHEMBL4692968 0.77 MAPK1 (0.32) MAPK1CHRM2HTR1AADRA2ADRD1
SCHEMBL5225145 0.77 MAPK1 (0.37) F11MAPK1NPC1HRH4DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 F11 2597/4885MAPK1 2268/4885NPC1 511/4885

“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.