SCHEMBL16367394

SCHEMBL16367394

CCC1OC(n2cnc([N+](=O)[O-])c2)C(O)C1O

nearest known ligand 0.68

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 8/20 0.43
ADK P55263 2/20 0.39
ADORA2A P29274 2/20 0.36
ADORA2B P29275 2/20 0.36
ADORA1 P30542 2/20 0.36
SLC29A1 Q99808 1/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL16367318 0.87 ADORA3 (0.43) ADORA3ADKADORA2AADORA2BADORA1
SCHEMBL16367316 0.87 ADORA3 (0.43) ADORA3ADKADORA2AADORA2BADORA1
SCHEMBL16367307 0.83 ADORA3 (0.40) ADORA3ADORA2AADORA2BADORA1
SCHEMBL16367315 0.79 LMNA (0.38) ALDH1A1
SCHEMBL16367335 0.78 ATG7 (0.37) ADORA3ADORA2AADORA2BADORA1
SCHEMBL15607864 0.74 ADORA3 (0.35) ADORA3ADORA2AADORA2BADORA1
SCHEMBL16367320 0.72 ADORA3 (0.41) ADORA3ADKADORA2AADORA2BADORA1
SCHEMBL16367356 0.71 LMNA (0.43) ADORA3ADKALDH1A1
SCHEMBL16367363 0.70 SLC5A2 (0.43) ADORA3ADKSLC29A1
SCHEMBL25197056 0.66 HTR2A (0.41) ALDH1A1

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-20150010474-A1 Compounds And Methods For Selective Imaging And/Or Ablation AUCKLAND UNISERVICES LTD (NL) 2015-01-08 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-20150010474-A1 Compounds And Methods For Selective Imaging And/Or Ablation CBR1, CBR3, BLVRB ADORA3 2690/4885ADK 3273/4885ADORA2A 3419/4885

“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.