SCHEMBL13656459

SCHEMBL13656459

CC(C)(C)[Si](C)(C)O[C@H](COc1ccc([N+](=O)[O-])cc1)CN1CCN(c2ccc(Cl)cc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.55
ALDH1A1 P00352 1/20 0.55
HTT P42858 1/20 0.55
TDP1 Q9NUW8 1/20 0.52
ENPP2 Q13822 1/20 0.51
HTR7 P34969 1/20 0.47
KCNH2 Q12809 3/20 0.46
LMNA P02545 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
KMT2A Q03164 2/20 0.45
ACHE P22303 1/20 0.44
RECQL P46063 1/20 0.43

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
SCHEMBL8088094 1.00 MAPT (0.55) MAPTALDH1A1HTTTDP1ENPP2
SCHEMBL8079721 0.86 MAPT (0.52) MAPTALDH1A1HTR7KCNH2LMNA
SCHEMBL13656461 0.86 MAPT (0.52) MAPTALDH1A1HTR7KCNH2LMNA
SCHEMBL15445827 0.82 MAPT (0.66) MAPTALDH1A1HTTTDP1ENPP2
SCHEMBL8014422 0.74 MAPT (0.71) MAPTHTR7KCNH2LMNASMN1; SMN2
SCHEMBL18587973 0.73 PTGS2 (0.44) MAPTALDH1A1LMNAKMT2AACHE
SCHEMBL15347670 0.68 POLB (0.73) MAPTALDH1A1TDP1LMNASMN1; SMN2
SCHEMBL5741339 0.68 SIRT6 (0.62) MAPTALDH1A1HTTTDP1LMNA
SCHEMBL3637451 0.67 KCNH2 (0.63) MAPTALDH1A1HTTTDP1HTR7
SCHEMBL4249336 0.67 KCNH2 (0.63) MAPTALDH1A1HTTTDP1HTR7

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 4 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
US-20090253710-A1 NMDA Receptor Antagonists for Neuroprotection EMORY UNIVERSITY 2009-10-08 US 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-20090253710-A1 NMDA Receptor Antagonists for Neuroprotection GRIN1, GRIN2C, GRIK1 MAPT 2477/4885ALDH1A1 2664/4885HTT 1416/4885
US-20140031363-A1 NMDA Receptor Antagonists for Neuroprotection GRIN1, GRIN2C, GRIK1 MAPT 2536/4885ALDH1A1 2668/4885HTT 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.