SCHEMBL1007761

SCHEMBL1007761

CN1CCn2nc(C(N)=O)c([N+](=O)[O-])c2C1=O

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.36
PKM P14618 1/20 0.32
ALDH1A1 P00352 1/20 0.30
CCNA2 P20248 1/20 0.30
CDK2 P24941 1/20 0.30
CCNA1 P78396 1/20 0.30
KDM4E B2RXH2 1/20 0.30
POLB P06746 1/20 0.30
CTDSP1 Q9GZU7 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL1006129 0.85 SMN1; SMN2 (0.36) SMN1; SMN2PKMALDH1A1KDM4EPOLB
SCHEMBL1005977 0.84 CYP1A2 (0.33) SMN1; SMN2PKMALDH1A1
SCHEMBL1007694 0.79 ADORA2A (0.31) CCNA2CDK2CCNA1
SCHEMBL1006750 0.77 SMN1; SMN2 (0.32) SMN1; SMN2ALDH1A1
SCHEMBL1006877 0.76 SMN1; SMN2 (0.32) SMN1; SMN2
SCHEMBL6379773 0.69 ALDH1A1 (0.36) SMN1; SMN2PKMALDH1A1POLBTDP1
SCHEMBL18655534 0.68 GABRA1 (0.32)
SCHEMBL18632627 0.68 ERCC1 (0.31)
SCHEMBL18665244 0.68 NPSR1 (0.35) SMN1; SMN2ALDH1A1KDM4EPOLB
SCHEMBL6383925 0.68 ALDH1A1 (0.33) SMN1; SMN2PKMALDH1A1L3MBTL1

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-20110118236-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-05-19 US disclosed
EP-2269990-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2011-01-05 EP 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-20110118236-A1 HETEROCYCLIC COMPOUND GRIN1, GRM1, GRIK1 SMN1; SMN2 3616/4885PKM 2797/4885ALDH1A1 614/4885

“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.