SCHEMBL25106571

SCHEMBL25106571

CCn1ncc(CO)c1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.39
RAB9A P51151 1/20 0.35
ALDH1A1 P00352 5/20 0.33
LMNA P02545 4/20 0.33
HPGD P15428 3/20 0.33
MAPT P10636 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
THRB P10828 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.32
TDP1 Q9NUW8 1/20 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
SCHEMBL3586940 0.79 GAA (0.39) SMN1; SMN2ALDH1A1LMNAHPGDMEN1
SCHEMBL28312825 0.76 LMNA (0.42) SMN1; SMN2RAB9AALDH1A1LMNAMAPT
SCHEMBL23108224 0.75 MAPK1 (0.34) ALDH1A1LMNAMAPTTHRBTSHR
SCHEMBL25106572 0.75 SMN1; SMN2 (0.41) SMN1; SMN2RAB9AALDH1A1LMNAHPGD
SCHEMBL25106764 0.75 SMN1; SMN2 (0.39) SMN1; SMN2RAB9AALDH1A1LMNAHPGD
SCHEMBL25106758 0.73 SMN1; SMN2 (0.39) SMN1; SMN2RAB9AALDH1A1LMNAHPGD
SCHEMBL15273680 0.72 HPGD (0.38) SMN1; SMN2RAB9AALDH1A1LMNAHPGD
SCHEMBL13981849 0.67 ALDH1A1 (0.39) ALDH1A1LMNAMEN1KMT2ATHRB
SCHEMBL11561448 0.67 ALDH1A1 (0.43) SMN1; SMN2RAB9AALDH1A1LMNAMAPT
SCHEMBL2515929 0.66 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1LMNAHPGDMAPT

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-20230063457-A1 DNA-PK INHIBITING COMPOUNDS PROVINCIAL HEALTH SERVICES AUTHORITY (CA) 2023-03-02 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-20230063457-A1 DNA-PK INHIBITING COMPOUNDS DCK, POLK, ERCC2 SMN1; SMN2 3212/4885RAB9A 2933/4885ALDH1A1 2447/4885

“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.