SCHEMBL1609231

SCHEMBL1609231

CCOc1cc(C=O)c([N+](=O)[O-])c([N+](=O)[O-])c1O

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.46
ERN1 O75460 3/20 0.44
KMT2A Q03164 7/20 0.44
MEN1 O00255 6/20 0.44
MAPT P10636 3/20 0.43
ALDH1A1 P00352 3/20 0.43
KDM4C Q9H3R0 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KDM4E B2RXH2 2/20 0.42
CYP3A4 P08684 1/20 0.42
ALOX15 P16050 1/20 0.42
PRKDC P78527 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CHIA Q9BZP6 1/20 0.39
ADH5 P11766 3/20 0.39
TACR3 P29371 2/20 0.39

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
SCHEMBL1609331 0.84 LMNA (0.47) LMNAERN1KMT2AMEN1MAPT
SCHEMBL1301751 0.79 ERN1 (0.71) LMNAERN1KMT2AMEN1MAPT
SCHEMBL1608774 0.77 ALDH1A1 (0.56) LMNAERN1KMT2AMEN1MAPT
SCHEMBL5424403 0.75 ALDH1A1 (0.68) LMNAERN1KMT2AMEN1MAPT
SCHEMBL346053 0.73 KMT2A (0.64) KMT2AMEN1MAPTALDH1A1KDM4C
SCHEMBL29084650 0.73 LMNA (0.53) LMNAERN1KMT2AMEN1MAPT
SCHEMBL28589207 0.73 KMT2A (0.41) LMNAKMT2AMEN1MAPTALDH1A1
SCHEMBL9314162 0.72 ERN1 (0.60) LMNAERN1KMT2AMEN1MAPT
SCHEMBL5518978 0.72 KMT2A (0.45) LMNAKMT2AMEN1MAPTALDH1A1
Hydrochloric Acid SCHEMBL4323630 0.71 ALDH1A1 (0.41) LMNAERN1KMT2AMEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8318785-B2 Pharmaceutical compounds ORION CORPORATION (FI) 2012-11-27 US disclosed
US-20110086852-A2 PHARMACEUTICAL COMPOUNDS ORION CORPORATION (FI) 2011-04-14 US disclosed
EP-1910325-B1 NEW PHARMACEUTICAL COMPOUNDS ORION CORP (FI) 2010-10-06 EP disclosed
US-20090209532-A1 PHARMACEUTICAL COMPOUNDS ORION CORPORATION (FI) 2009-08-20 US disclosed
EP-1910325-A2 NEW PHARMACEUTICAL COMPOUNDS ORION CORPORATION (FI) 2008-04-16 EP disclosed
WO-2007010085-A2 NEW PHARMACEUTICAL COMPOUNDS ORION CORPORATION (FI) 2007-01-25 WO 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 (2 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-20090209532-A1 PHARMACEUTICAL COMPOUNDS COMT, CYP2C19, UGT1A1 LMNA 3994/4885ERN1 2927/4885KMT2A 2938/4885
US-20110086852-A2 PHARMACEUTICAL COMPOUNDS COMT, CYP2C19, CYP3A4 LMNA 3538/4885ERN1 3641/4885KMT2A 1989/4885

“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.