SCHEMBL16367332

SCHEMBL16367332

CCC1OC(n2c([N+](=O)[O-])cnc2C)C(OC(C)=O)C1OC(C)=O

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 7/20 0.39
THRB P10828 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HIF1A Q16665 1/20 0.39
GLA P06280 1/20 0.38
ALDH1A1 P00352 3/20 0.38
MAPK1 P28482 2/20 0.38
TSHR P16473 1/20 0.38
ATM Q13315 1/20 0.37
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CHRM1 P11229 1/20 0.35
KDM4E B2RXH2 1/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA9 Q16790 2/20 0.34
CA12 O43570 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL16367386 0.86 LMNA (0.39) LMNATHRBSMN1; SMN2HIF1AGLA
SCHEMBL16367330 0.82 EGFR (0.41) LMNATHRBSMN1; SMN2HIF1AKDM4E
SCHEMBL16367356 0.79 LMNA (0.43) LMNATHRBSMN1; SMN2GLAALDH1A1
SCHEMBL16367311 0.79 LMNA (0.40) LMNATHRBSMN1; SMN2HIF1AALDH1A1
SCHEMBL16367416 0.76 LMNA (0.36) LMNATHRBSMN1; SMN2HIF1AALDH1A1
SCHEMBL16367315 0.75 LMNA (0.38) LMNATHRBSMN1; SMN2HIF1AALDH1A1
SCHEMBL16367392 0.71 LMNA (0.42) LMNATHRBSMN1; SMN2GLAALDH1A1
SCHEMBL16367333 0.71 LMNA (0.42) LMNATHRBSMN1; SMN2GLAALDH1A1
SCHEMBL15607814 0.69 LMNA (0.38) LMNATHRBGLAALDH1A1MAPK1
SCHEMBL15607810 0.69 CA1 (0.40) LMNATHRBSMN1; SMN2ALDH1A1MAPK1

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 4469/4885THRB 1824/4885SMN1; SMN2 4329/4885

“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.