SCHEMBL2802403

SCHEMBL2802403

O=[N+]([O-])c1ccc(-c2ccc3cc(OCCOCCOCCF)ccc3c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
LMNA P02545 1/20 0.46
SNCA P37840 1/20 0.46
MAPK1 P28482 2/20 0.44
KDM4E B2RXH2 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
MAPT P10636 7/20 0.43
KCNH2 Q12809 2/20 0.43
PDGFRB P09619 1/20 0.41
PDGFRA P16234 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
RAB9A P51151 2/20 0.40
POLB P06746 1/20 0.40
THRB P10828 1/20 0.40
MCL1 Q07820 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
NPC1 O15118 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HTT P42858 1/20 0.39

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
SCHEMBL2800454 0.90 ALDH1A1 (0.46) ALDH1A1LMNAMAPK1KDM4ETDP1
SCHEMBL15654213 0.81 MAPT (0.57) ALDH1A1MAPK1KDM4ETDP1MAPT
SCHEMBL2803139 0.80 APP (0.60) MAPK1KDM4ETDP1MAPTRAB9A
SCHEMBL2800473 0.79 KDM4E (0.49) MAPK1KDM4ETDP1MAPTRAB9A
SCHEMBL13264901 0.77 ALDH1A1 (0.62) ALDH1A1LMNAKDM4EMAPTKCNH2
SCHEMBL30719663 0.77 MAPT (0.59) ALDH1A1LMNAMAPK1KDM4EMAPT
SCHEMBL8456712 0.77 ALDH1A1 (0.62) ALDH1A1LMNAKDM4EMAPTKCNH2
SCHEMBL2801603 0.76 APP (0.63) MAPK1KDM4ETDP1MAPTAPP
SCHEMBL2800476 0.76 APP (0.65) SNCAMAPK1KDM4ETDP1MAPT
SCHEMBL12274410 0.75 KCNH2 (0.60) ALDH1A1LMNASNCAMAPTKCNH2

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-20100215579-A1 PHEN-NAPHTHALENE AND PHEN-QUINOLINE DERIVATIVES AND THEIR USE FOR BINDING AND IMAGING AMYLOID PLAQUES THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (PA) 2010-08-26 US disclosed
EP-2144916-A1 PHEN-NAPHTHALENE AND PHEN-QUINOLINE DERIVATIVES AND THEIR USE FOR BINDING AND IMAGING AMYLOID PLAQUES The Trustees of the University of Pennsylvania (US) 2010-01-20 EP disclosed
WO-2008124812-A1 PHEN-NAPHTHALENE AND PHEN-QUINOLINE DERIVATIVES AND THEIR USE FOR BINDING AND IMAGING AMYLOID PLAQUES THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2008-10-16 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-20100215579-A1 PHEN-NAPHTHALENE AND PHEN-QUINOLINE DERIVATIVES AND THEIR USE FOR BINDING AND IMAGING AMYLOID PLAQUES APP, PSEN1, PSEN2 ALDH1A1 4509/4885LMNA 328/4885SNCA 26/4885

“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.