SCHEMBL2771503

SCHEMBL2771503

COC(=O)c1cc(CN2CCOCC2)ccc1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.53
MAPK1 P28482 2/20 0.53
SIRT6 Q8N6T7 1/20 0.52
ALDH1A1 P00352 8/20 0.52
MAPT P10636 4/20 0.51
LMNA P02545 3/20 0.51
KCNJ1 P48048 2/20 0.51
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
HCRTR1 O43613 1/20 0.49
HCRTR2 O43614 1/20 0.49

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
SCHEMBL13161883 0.96 ALDH1A1 (0.50) SMN1; SMN2MAPK1SIRT6ALDH1A1MAPT
SCHEMBL7298034 0.91 ALDH1A1 (0.51) SMN1; SMN2MAPK1ALDH1A1MAPTLMNA
SCHEMBL13634150 0.89 SIRT6 (0.55) SMN1; SMN2MAPK1SIRT6ALDH1A1MAPT
SCHEMBL147701 0.89 MAPT (0.53) SMN1; SMN2MAPK1ALDH1A1MAPTLMNA
SCHEMBL2771188 0.89 SIRT6 (0.53) SMN1; SMN2SIRT6ALDH1A1MAPTLMNA
SCHEMBL495726 0.88 SIRT6 (0.54) MAPK1SIRT6ALDH1A1MAPTLMNA
SCHEMBL378383 0.87 SIRT6 (0.65) SMN1; SMN2MAPK1SIRT6ALDH1A1MAPT
SCHEMBL13161884 0.86 KDM4E (0.52) SMN1; SMN2MAPK1SIRT6ALDH1A1MAPT
Hydrochloric Acid SCHEMBL378382 0.86 SIRT6 (0.64) SMN1; SMN2MAPK1SIRT6ALDH1A1MAPT
SCHEMBL13634261 0.85 SIRT6 (0.51) MAPK1SIRT6ALDH1A1MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2206707-B1 AZOLECARBOXAMIDE COMPOUND OR SALT THEREOF ASTELLAS PHARMA INC (JP) 2014-07-23 EP disclosed
EP-2206707-B1 AZOLECARBOXAMIDE COMPOUND OR SALT THEREOF ASTELLAS PHARMA INC (JP) 2014-07-23 EP disclosed
US-8304547-B2 Azolecarboxamide compound or salt thereof ASTELLAS PHARMA INC. (JP) 2012-11-06 US disclosed
US-8304547-B2 Azolecarboxamide compound or salt thereof ASTELLAS PHARMA INC. (JP) 2012-11-06 US disclosed
CN-101835764-B Azolecarboxamide compound or salt thereof ASTELLAS PHARMA INC 2012-09-19 CN disclosed
US-20100249088-A1 AZOLECARBOXAMIDE COMPOUND OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2010-09-30 US disclosed
CN-101835764-A Azolecarboxamide compound or salt thereof ASTELLAS PHARMA INC 2010-09-15 CN disclosed
EP-2206707-A1 AZOLECARBOXAMIDE COMPOUND OR SALT THEREOF Astellas Pharma Inc. (JP) 2010-07-14 EP 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-20100249088-A1 AZOLECARBOXAMIDE COMPOUND OR SALT THEREOF TRPV1, FGFR3, GPR17 SMN1; SMN2 3213/4885MAPK1 307/4885SIRT6 1744/4885

“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.