SCHEMBL4590756

SCHEMBL4590756

CCOC(=O)c1cnc(NCCCOC)c([N+](=O)[O-])c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.57
MAPT P10636 5/20 0.57
RAB9A P51151 3/20 0.57
PTGER4 P35408 3/20 0.57
NPC1 O15118 2/20 0.49
PKM P14618 1/20 0.49
CRHBP P24387 1/20 0.49
CRHR2 Q13324 1/20 0.49
MAPK1 P28482 3/20 0.47
POLB P06746 2/20 0.47
LMNA P02545 2/20 0.46
KMT2A Q03164 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
KDM4E B2RXH2 2/20 0.43
JAK2 O60674 1/20 0.43
HCAR3 P49019 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL8246329 0.91 MAPT (0.56) ALDH1A1MAPTRAB9APTGER4MAPK1
SCHEMBL4590450 0.82 PTGER4 (0.64) ALDH1A1MAPTRAB9APTGER4LMNA
SCHEMBL2248162 0.81 KMT2A (0.52) ALDH1A1MAPTRAB9APTGER4NPC1
SCHEMBL20797392 0.81 MAPT (0.55) ALDH1A1MAPTRAB9APTGER4NPC1
SCHEMBL14159520 0.80 PTGER4 (0.50) ALDH1A1MAPTRAB9APTGER4LMNA
SCHEMBL15774665 0.80 MAPT (0.87) ALDH1A1MAPTRAB9APTGER4NPC1
SCHEMBL2713265 0.78 LMNA (0.45) ALDH1A1MAPTMAPK1POLBLMNA
SCHEMBL4589313 0.77 ALDH1A1 (0.50) ALDH1A1MAPTRAB9APTGER4NPC1
SCHEMBL29907140 0.76 KMT2A (0.53) ALDH1A1MAPTRAB9APTGER4NPC1
SCHEMBL26793959 0.76 KMT2A (0.53) ALDH1A1MAPTRAB9APTGER4NPC1

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-20080146536-A1 2-Aminoimidazopyridines for treating neurodegenerative diseases PHARMACOPEIA, INC. (US) 2008-06-19 US disclosed
US-20080146536-A1 2-Aminoimidazopyridines for treating neurodegenerative diseases PHARMACOPEIA, INC. (US) 2008-06-19 US disclosed
US-20080146536-A1 2-Aminoimidazopyridines for treating neurodegenerative diseases PHARMACOPEIA, INC. (US) 2008-06-19 US disclosed
WO-2007022305-A2 2-AMINOIMIDAZOPYRIDINES FOR TREATING NEURODEGENERATIVE DISEASES PHARMACOPEIA, INC. (US) 2007-02-22 WO disclosed
WO-2007022305-A2 2-AMINOIMIDAZOPYRIDINES FOR TREATING NEURODEGENERATIVE DISEASES PHARMACOPEIA, INC. (US) 2007-02-22 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-20080146536-A1 2-Aminoimidazopyridines for treating neurodegenerative diseases ADORA2A, ADORA1, ADORA3 ALDH1A1 885/4885MAPT 309/4885RAB9A 1725/4885

“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.