SCHEMBL16367315

SCHEMBL16367315

CCC1OC(n2cnc([N+](=O)[O-])c2)C(OC(C)=O)C1OC(C)=O

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.38
ALDH1A1 P00352 1/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
THRB P10828 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HIF1A Q16665 1/20 0.37
CA1 P00915 9/20 0.35
CA2 P00918 9/20 0.35
CA9 Q16790 9/20 0.35
CA12 O43570 8/20 0.35
CA14 Q9ULX7 8/20 0.35
TSHR P16473 1/20 0.33
MITF O75030 1/20 0.33
CD69 Q07108 1/20 0.32
L3MBTL1 Q9Y468 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
SCHEMBL16367361 0.86 CA9 (0.40) LMNAALDH1A1TP53MAPTTDP1
SCHEMBL16367358 0.81 CA9 (0.40) CA1CA2CA9CA12CA14
SCHEMBL16367394 0.79 ADORA3 (0.43) ALDH1A1
SCHEMBL16367311 0.76 LMNA (0.40) LMNAALDH1A1TP53MAPTTDP1
SCHEMBL16367332 0.75 LMNA (0.39) LMNAALDH1A1TP53MAPTTDP1
SCHEMBL16367416 0.74 LMNA (0.36) LMNAALDH1A1TP53MAPTTDP1
SCHEMBL17366441 0.70 LMNA (0.54) LMNAALDH1A1TP53MAPTTDP1
SCHEMBL11784305 0.70 CA1 (0.62) LMNATHRBSMN1; SMN2HIF1ACA1
SCHEMBL16367318 0.69 ADORA3 (0.43) TP53HIF1A
SCHEMBL16367316 0.69 ADORA3 (0.43) TP53HIF1A

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 LMNA 4469/4885ALDH1A1 140/4885TP53 1870/4885

“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.