SCHEMBL2021776

SCHEMBL2021776

O=[N+]([O-])c1ccc(Oc2ccc([N+](=O)[O-])cc2C[C@H]2CO2)c(C[C@H]2CO2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 1/20 0.48
WDR77 Q9BQA1 1/20 0.48
NPBWR1 P48145 1/20 0.40
MCHR1 Q99705 1/20 0.40
HSPB1 P04792 3/20 0.40
TDP1 Q9NUW8 2/20 0.39
ALDH1A1 P00352 4/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HPGD P15428 1/20 0.38
TTR P02766 2/20 0.38
MAPT P10636 2/20 0.38
TSHR P16473 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CTSB P07858 1/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37

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
SCHEMBL2021778 1.00 PRMT5 (0.48) PRMT5WDR77NPBWR1MCHR1HSPB1
SCHEMBL2911007 0.79 PRMT5 (0.38) PRMT5WDR77NPBWR1MCHR1ALDH1A1
SCHEMBL2911008 0.79 PRMT5 (0.38) PRMT5WDR77NPBWR1MCHR1ALDH1A1
SCHEMBL14762196 0.77 ALDH1A1 (0.50) PRMT5WDR77TDP1ALDH1A1SMN1; SMN2
SCHEMBL2967503 0.77 ALDH1A1 (0.50) PRMT5WDR77TDP1ALDH1A1SMN1; SMN2
SCHEMBL8908775 0.77 PRMT5 (0.46) PRMT5WDR77ALDH1A1MEN1KMT2A
SCHEMBL16052639 0.77 PRMT5 (0.46) PRMT5WDR77TDP1ALDH1A1TSHR
SCHEMBL8898161 0.77 ALDH1A1 (0.50) PRMT5WDR77TDP1ALDH1A1SMN1; SMN2
SCHEMBL10477957 0.77 PRMT5 (0.46) PRMT5WDR77TDP1ALDH1A1TSHR
SCHEMBL10477956 0.77 PRMT5 (0.46) PRMT5WDR77TDP1ALDH1A1TSHR

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-2170334-B1 NMDA RECEPTOR ANTAGONISTS FOR NEUROPROTECTION UNIV EMORY (US) 2021-03-17 EP disclosed
US-9079852-B2 NMDA receptor antagonists for neuroprotection EMORY UNIVERSITY (US) 2015-07-14 US disclosed
US-20140031363-A1 NMDA Receptor Antagonists for Neuroprotection LIOTTA DENNIS C (US) 2014-01-30 US disclosed
US-8420680-B2 NMDA receptor antagonists for neuroprotection EMORY UNIVERSITY (US) 2013-04-16 US disclosed
US-20110160223-A1 NMDA Receptor Antagonists for the Treatment of Neuropsychiatric Disorders EMORY UNIVERSITY 2011-06-30 US disclosed
EP-2170334-A1 NMDA RECEPTOR ANTAGONISTS FOR NEUROPROTECTION Emory University (US) 2010-04-07 EP disclosed
US-20090253710-A1 NMDA Receptor Antagonists for Neuroprotection EMORY UNIVERSITY 2009-10-08 US disclosed
WO-2009006437-A1 NMDA RECEPTOR ANTAGONISTS FOR NEUROPROTECTION EMORY UNIVERSITY (US) 2009-01-08 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 (3 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-20090253710-A1 NMDA Receptor Antagonists for Neuroprotection GRIN1, GRIN2C, GRIK1 PRMT5 2538/4885WDR77 1003/4885NPBWR1 283/4885
US-20110160223-A1 NMDA Receptor Antagonists for the Treatment of Neuropsychiatric Disorders GRIN2A, GRIN2B, GRIN1 PRMT5 915/4885WDR77 1230/4885NPBWR1 194/4885
US-20140031363-A1 NMDA Receptor Antagonists for Neuroprotection GRIN1, GRIN2C, GRIK1 PRMT5 2584/4885WDR77 836/4885NPBWR1 259/4885

“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.