SCHEMBL5526455

SCHEMBL5526455

Cn1cc(NC(=NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)c(NC(c2ccccc2)(c2ccccc2)c2ccccc2)n1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD9 Q9H8M2 1/20 0.35
IRAK4 Q9NWZ3 1/20 0.33
CNR2 P34972 1/20 0.33
ACSS2 Q9NR19 1/20 0.33
LMNA P02545 2/20 0.32
ALDH1A1 P00352 1/20 0.32
ADORA3 P0DMS8 3/20 0.31
ADORA2A P29274 2/20 0.31
ADORA2B P29275 2/20 0.31
ADORA1 P30542 2/20 0.31
HTT P42858 1/20 0.31
ATR Q13535 1/20 0.31
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
KMT2A Q03164 2/20 0.31
GSK3B P49841 1/20 0.31
DYRK1A Q13627 1/20 0.31
TP53 P04637 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MEN1 O00255 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
SCHEMBL5498909 0.81 LPAR1 (0.35) BRD9CNR2ACSS2LMNAALDH1A1
SCHEMBL5494835 0.77 ACSS2 (0.36) BRD9CNR2ACSS2LMNAALDH1A1
SCHEMBL13785635 0.73 CTSK (0.41) LMNAALDH1A1NPC1RAB9AKMT2A
SCHEMBL3785113 0.73 CTSK (0.41) LMNAALDH1A1NPC1RAB9AKMT2A
SCHEMBL3785111 0.73 CTSK (0.41) LMNAALDH1A1NPC1RAB9AKMT2A
SCHEMBL29931186 0.72 GAA (0.41) BRD9LMNAHTTNPC1RAB9A
SCHEMBL8886501 0.72 HTT (0.43) BRD9LMNAALDH1A1HTTNPC1
SCHEMBL20315227 0.71 RAB9A (0.45) BRD9LMNAALDH1A1HTTNPC1
SCHEMBL14819924 0.69 ALDH1A1 (0.43) ALDH1A1HTTKMT2AGSK3BDYRK1A
SCHEMBL5499946 0.69 CKS1B (0.32) BRD9ACSS2KCNA3

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-20070037786-A1 Cephem compounds WAKUNAGA PHARMACEUTICAL CO., LTD. (JP) 2007-02-15 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-20070037786-A1 Cephem compounds CEP170, ABCB11, SLC7A1 BRD9 3009/4885IRAK4 4673/4885CNR2 316/4885

“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.