SCHEMBL2020487

SCHEMBL2020487

CC1OC1Oc1ccc(N)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 6/20 0.44
MAPK1 P28482 2/20 0.44
ALDH1A1 P00352 9/20 0.43
CYP3A4 P08684 2/20 0.43
TSHR P16473 2/20 0.42
TEAD4 Q15561 1/20 0.40
MAPT P10636 6/20 0.39
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 4/20 0.38
MAOA P21397 2/20 0.37
NPC1 O15118 2/20 0.36
HPGD P15428 2/20 0.36
RAB9A P51151 2/20 0.36
NR4A1 P22736 1/20 0.36
APP P05067 1/20 0.36
MAOB P27338 1/20 0.35
KDM4E B2RXH2 1/20 0.35
TP53 P04637 1/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35

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
SCHEMBL2020485 1.00 TDP1 (0.44) TDP1MAPK1ALDH1A1CYP3A4TSHR
SCHEMBL10945428 0.89 LMNA (0.39) ALDH1A1SMN1; SMN2KDM4ELMNA
SCHEMBL19595693 0.82 SMN1; SMN2 (0.36) MAPK1ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL11303274 0.80 CA1 (0.50) TDP1MAPK1ALDH1A1CYP3A4MAPT
SCHEMBL16021494 0.80 CA12 (0.50) ALDH1A1HPGDKDM4E
SCHEMBL8829594 0.80 CA12 (0.50) ALDH1A1HPGDKDM4E
SCHEMBL14852911 0.80 CA12 (0.50) ALDH1A1HPGDKDM4E
SCHEMBL7665014 0.80 CA12 (0.50) ALDH1A1HPGDKDM4E
SCHEMBL5525066 0.80 CA12 (0.50) ALDH1A1HPGDKDM4E
SCHEMBL7152285 0.80 CA12 (0.50) ALDH1A1HPGDKDM4E

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
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
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 (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 TDP1 4210/4885MAPK1 1402/4885ALDH1A1 2664/4885
US-20110160223-A1 NMDA Receptor Antagonists for the Treatment of Neuropsychiatric Disorders GRIN2A, GRIN2B, GRIN1 TDP1 2068/4885MAPK1 3223/4885ALDH1A1 2039/4885
US-20140031363-A1 NMDA Receptor Antagonists for Neuroprotection GRIN1, GRIN2C, GRIK1 TDP1 4258/4885MAPK1 1307/4885ALDH1A1 2668/4885

“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.