SCHEMBL8006944

SCHEMBL8006944

O=C(COc1ccc(O)cc1)NCCNc1ccc(Cl)cc1

nearest known ligand 0.72

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.72
KMT2A Q03164 5/20 0.72
HTT P42858 1/20 0.56
GRIN1 Q05586 1/20 0.55
GRIN2B Q13224 1/20 0.55
KDM4E B2RXH2 1/20 0.53
ALDH1A1 P00352 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
PKM P14618 1/20 0.51
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
BCHE P06276 1/20 0.48
ACHE P22303 1/20 0.48
GAA P10253 1/20 0.48
ALOX12 P18054 1/20 0.48
ATF4 P18848 3/20 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
SCHEMBL2020386 0.86 GRIN1 (0.73) MEN1KMT2AHTTGRIN1GRIN2B
SCHEMBL8007245 0.84 MEN1 (0.53) MEN1KMT2AHTTGRIN1GRIN2B
SCHEMBL8078183 0.84 GRIN1 (0.78) MEN1KMT2AHTTGRIN1GRIN2B
SCHEMBL22669498 0.79 MEN1 (0.67) MEN1KMT2AHTTKDM4ESMN1; SMN2
SCHEMBL10090423 0.78 RAB9A (0.70) MEN1KMT2AHTTKDM4EALDH1A1
SCHEMBL5998019 0.76 MEN1 (0.60) MEN1KMT2AHTTKDM4ESMN1; SMN2
SCHEMBL21484730 0.76 TEAD1 (0.56) MEN1KMT2AHTTALDH1A1L3MBTL1
SCHEMBL9326104 0.75 TSHR (0.57) MEN1KMT2AHTTKDM4EALDH1A1
SCHEMBL2610071 0.75 MEN1 (0.85) MEN1KMT2AALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL16082990 0.75 MEN1 (0.85) MEN1KMT2AALDH1A1L3MBTL1SMN1; 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
WO-2009137843-A2 NMDA RECEPTOR ANTAGONISTS FOR THE TREATMENT OF NEUROPSYCHIATRIC DISORDERS EMORY UNIVERSITY (US) 2009-11-12 WO 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 (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-20140031363-A1 NMDA Receptor Antagonists for Neuroprotection GRIN1, GRIN2C, GRIK1 MEN1 3627/4885KMT2A 701/4885HTT 1298/4885

“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.