SCHEMBL3787535

SCHEMBL3787535

CC(C)(C)[Si](C)(C)OC[C@@H]1Cc2cccc3ncc(=O)n1c23

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.42
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TOP2A P11388 1/20 0.33
DRD2 P14416 2/20 0.32
DRD3 P35462 2/20 0.32
DUT P33316 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 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
SCHEMBL3429771 0.82 HTR1A (0.38) HTR1ATOP2ADRD2DUT
SCHEMBL3427271 0.77 HTR1A (0.46) HTR1AKDM4EALDH1A1DRD2DRD3
SCHEMBL3408383 0.77 TOP2A (0.31) TOP2ADUT
SCHEMBL335581 0.72 TOP2A (0.40) KDM4EALDH1A1TOP2ADUT
SCHEMBL3408402 0.70 HTR1A (0.46) HTR1AKDM4EALDH1A1DRD2DRD3
SCHEMBL3787538 0.70 HTR1A (0.40) HTR1AKDM4EALDH1A1DRD2DRD3
SCHEMBL7004317 0.65 DUT (0.40) TOP2ADUT
SCHEMBL3786929 0.63
SCHEMBL19506361 0.62 DUT (0.30) DUT
SCHEMBL6327725 0.62 HTR1A (0.46) HTR1ATOP2ADRD2DUT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2257551-B1 AZATRICYCLIC ANTIBIOTIC COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2013-04-10 EP disclosed
US-8349828-B2 Azatricyclic antibiotic compounds ACTELION PHARMACEUTICALS LTD. (CH) 2013-01-08 US disclosed
US-20100331318-A1 AZATRICYCLIC ANTIBIOTIC COMPOUNDS ACTELION PHARMACEUTICALS LTD. (CH) 2010-12-30 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-20100331318-A1 AZATRICYCLIC ANTIBIOTIC COMPOUNDS ZYX, AZI2, NAT1 HTR1A 1449/4885KDM4E 1452/4885ALDH1A1 1608/4885

“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.