SCHEMBL2562011

SCHEMBL2562011

O=[N+]([O-])c1ccc(OCC2CCC2)cc1

nearest known ligand 0.69

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.69
PARP15 Q460N3 4/20 0.54
PARP10 Q53GL7 4/20 0.54
PARP2 Q9UGN5 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.51
CYP19A1 P11511 2/20 0.48
PTGS2 P35354 2/20 0.48
LTA4H P09960 1/20 0.48
PTGS1 P23219 1/20 0.48
HRH3 Q9Y5N1 1/20 0.48

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
SCHEMBL2759959 0.95 SIGMAR1 (0.68) SIGMAR1PARP15PARP10PARP2SMN1; SMN2
SCHEMBL2566683 0.93 SIGMAR1 (0.78) SIGMAR1PARP15PARP10PARP2SMN1; SMN2
SCHEMBL31434575 0.86 SIGMAR1 (0.68) SIGMAR1PARP15PARP10PARP2SMN1; SMN2
SCHEMBL1674342 0.83 SIGMAR1 (0.73) SIGMAR1SMN1; SMN2PTGS2LTA4HPTGS1
SCHEMBL10509231 0.83 SIGMAR1 (0.68) SIGMAR1PARP15PARP10SMN1; SMN2CYP19A1
SCHEMBL3190605 0.83 SIGMAR1 (0.61) SIGMAR1SMN1; SMN2PTGS2LTA4HPTGS1
SCHEMBL7362580 0.82 SIGMAR1 (1.00) SIGMAR1
SCHEMBL27935608 0.81 SIGMAR1 (0.70) SIGMAR1
SCHEMBL27935609 0.81 SIGMAR1 (0.70) SIGMAR1PTGS2LTA4HPTGS1HRH3
SCHEMBL5548803 0.80 SIGMAR1 (0.61) SIGMAR1PARP15PARP10PARP2SMN1; SMN2

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-2382218-A1 DELTA-5-DESATURASE INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2011-11-02 EP disclosed
WO-2010087467-A1 DELTA-5-DESATURASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-05 WO disclosed
US-20100190747-A1 Fused ring compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-07-29 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-20100190747-A1 Fused ring compound and use thereof CYP46A1, LTB4R2, PTGES SIGMAR1 3012/4885PARP15 1905/4885PARP10 2174/4885

“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.