SCHEMBL2540959

SCHEMBL2540959

Cc1ncc([N+](=O)[O-])n1CCOC(=O)OC/C=C\CO

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 2/20 0.64
ALDH1A1 P00352 3/20 0.56
LMNA P02545 1/20 0.56
THRB P10828 1/20 0.56
TSHR P16473 1/20 0.56
MAPK1 P28482 1/20 0.56
EGFR P00533 12/20 0.56
ERBB2 P04626 12/20 0.56
MAPT P10636 2/20 0.54
KDM4E B2RXH2 1/20 0.53
MEN1 O00255 1/20 0.53
POLB P06746 1/20 0.53
PKM P14618 1/20 0.53
HPGD P15428 1/20 0.53
KMT2A Q03164 1/20 0.53
CTDSP1 Q9GZU7 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
GUSB P08236 1/20 0.53
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52

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
SCHEMBL2540963 1.00 GLA (0.64) GLAALDH1A1LMNATHRBTSHR
SCHEMBL12238478 0.85 GLA (0.56) GLAALDH1A1LMNATHRBTSHR
SCHEMBL9702324 0.82 GLA (0.71) GLAALDH1A1LMNATHRBTSHR
SCHEMBL9702379 0.82 GLA (0.71) GLAALDH1A1LMNATHRBTSHR
SCHEMBL9701341 0.82 GLA (0.71) GLAALDH1A1LMNATHRBTSHR
SCHEMBL9701202 0.82 GLA (0.71) GLAALDH1A1LMNATHRBTSHR
SCHEMBL16151836 0.82 GLA (0.78) GLAALDH1A1LMNATHRBTSHR
SCHEMBL12103253 0.80 GLA (0.64) GLAALDH1A1LMNATHRBTSHR
SCHEMBL677158 0.80 GLA (0.78) GLAALDH1A1LMNATHRBTSHR
SCHEMBL12103330 0.79 GLA (0.63) GLAALDH1A1LMNATHRBTSHR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2560634-A1 NITRIC OXIDE RELEASING PRODRUGS OF THERAPEUTIC AGENTS Piramal Enterprises Limited (IN) 2013-02-27 EP disclosed
WO-2011132171-A1 NITRIC OXIDE RELEASING PRODRUGS OF THERAPEUTIC AGENTS PIRAMAL LIFE SCIENCES LIMITED (IN) 2011-10-27 WO disclosed
US-20110263526-A1 Nitric Oxide Releasing Prodrugs of Therapeutic Agents PIRAMAL LIFE SCIENCES LIMITED (IN) 2011-10-27 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-20110263526-A1 Nitric Oxide Releasing Prodrugs of Therapeutic Agents NOS2, NOS1, NOS3 GLA 2375/4885ALDH1A1 204/4885LMNA 3648/4885

“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.