SCHEMBL1609331

SCHEMBL1609331

CCOc1cc(C=O)c([N+](=O)[O-])c([N+](=O)[O-])c1OCC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.47
ALDH1A1 P00352 7/20 0.43
MAPT P10636 6/20 0.43
CYP3A4 P08684 3/20 0.43
KDM4E B2RXH2 2/20 0.43
ALOX15 P16050 1/20 0.43
PRKDC P78527 1/20 0.43
HSD17B10 Q99714 1/20 0.43
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 1/20 0.39
GRIN2B Q13224 1/20 0.39
GRIN2C Q14957 1/20 0.39
GRIN3A Q8TCU5 1/20 0.39
POLB P06746 2/20 0.37
TSHR P16473 1/20 0.37
ERN1 O75460 1/20 0.36
NPSR1 Q6W5P4 2/20 0.36
HPGD P15428 2/20 0.36

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
SCHEMBL1609231 0.84 LMNA (0.46) LMNAALDH1A1MAPTCYP3A4KDM4E
SCHEMBL5518978 0.82 KMT2A (0.45) LMNAALDH1A1MAPTCYP3A4KDM4E
SCHEMBL27717146 0.79 ERN1 (0.52) LMNAALDH1A1MAPTCYP3A4KDM4E
SCHEMBL28334914 0.76 MAPT (0.43) LMNAALDH1A1MAPTCYP3A4GRIN2D
SCHEMBL5424403 0.76 ALDH1A1 (0.68) LMNAALDH1A1MAPTCYP3A4KDM4E
Hydrochloric Acid SCHEMBL4323630 0.75 ALDH1A1 (0.41) LMNAALDH1A1MAPTCYP3A4KDM4E
SCHEMBL9694476 0.75 GRIN2D (0.46) LMNAALDH1A1MAPTCYP3A4GRIN2D
SCHEMBL13664124 0.74 LMNA (0.56) LMNAALDH1A1KDM4EPOLBTSHR
SCHEMBL10958150 0.74 MEN1 (0.46) LMNAALDH1A1MAPTCYP3A4KDM4E
SCHEMBL28497425 0.73 ALDH1A1 (0.46) LMNAALDH1A1MAPTKDM4EPOLB

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 3994/4885ALDH1A1 65/4885MAPT 1148/4885
US-20110086852-A2 PHARMACEUTICAL COMPOUNDS COMT, CYP2C19, CYP3A4 LMNA 3538/4885ALDH1A1 233/4885MAPT 2131/4885

“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.