SCHEMBL3538427

SCHEMBL3538427

CN1C(=O)CCN(CCN2CCOCC2)c2nc(Cl)ncc21

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 9/20 0.41
SMN1; SMN2 Q16637 2/20 0.34
MAPK1 P28482 1/20 0.34
ACHE P22303 1/20 0.34
HSP90AA1 P07900 1/20 0.34
HSP90AB1 P08238 1/20 0.34
GAA P10253 1/20 0.33

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
SCHEMBL3543108 0.89 DRD2 (0.36) TLR9SMN1; SMN2HSP90AA1HSP90AB1
SCHEMBL3543105 0.83 SMN1; SMN2 (0.38) SMN1; SMN2
SCHEMBL3668641 0.82 ALDH1A1 (0.35) SMN1; SMN2
SCHEMBL3543954 0.81 RPS6KA3 (0.45) SMN1; SMN2HSP90AA1
SCHEMBL3542695 0.81 KDM4E (0.37) SMN1; SMN2
SCHEMBL3543713 0.81 RAD52 (0.38) TLR9SMN1; SMN2MAPK1GAA
SCHEMBL3543738 0.80 SMN1; SMN2 (0.35) SMN1; SMN2
SCHEMBL3548150 0.80 RPS6KA3 (0.37) SMN1; SMN2HSP90AA1HSP90AB1
SCHEMBL1204276 0.79 PRKDC (0.46)
SCHEMBL3543190 0.79 TRPC5 (0.36) SMN1; SMN2

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
US-7709471-B2 Compounds ASTRAZENECA AB (SE) 2010-05-04 US disclosed
US-20080009482-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2008-01-10 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-20080009482-A1 NOVEL COMPOUNDS CYP11B2, CYP11B1, CYP46A1 TLR9 4628/4885SMN1; SMN2 1059/4885MAPK1 2324/4885

“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.