SCHEMBL14864482

SCHEMBL14864482

CO[SH](=O)=Nc1ccc(OCC(O)CNC/C=C/c2ccc(F)c(F)c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.41
ADRB3 P13945 2/20 0.38
NPC1 O15118 1/20 0.37
KMT2A Q03164 4/20 0.35
MEN1 O00255 3/20 0.35
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
PKM P14618 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL14864559 0.87 GRIN1 (0.41) KCNH2KMT2AMEN1
SCHEMBL14864562 0.80 KCNH2 (0.51) KCNH2ADRB3NPC1
SCHEMBL2018556 0.79 KCNH2 (0.66) KCNH2ADRB3
SCHEMBL2018559 0.79 KCNH2 (0.66) KCNH2ADRB3
SCHEMBL2018558 0.79 KCNH2 (0.66) KCNH2ADRB3
SCHEMBL14864558 0.72 MAPT (0.52) ADRB3KMT2AMEN1MAPT
SCHEMBL14864500 0.70 KCNH2 (0.50) KCNH2ADRB3
SCHEMBL14864494 0.70 MEN1 (0.55) KCNH2KMT2AMEN1MAPT
SCHEMBL15445654 0.68 KMT2A (0.50) KCNH2NPC1KMT2AMEN1ALDH1A1
SCHEMBL14864560 0.67 KCNH2 (0.45) KCNH2

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 3 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

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 KCNH2 135/4885ADRB3 667/4885NPC1 1665/4885

“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.