SCHEMBL2801588

SCHEMBL2801588

FCCOCCOCCOc1ccc2cc(Br)ccc2c1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.56
MAPK1 P28482 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
NPC1 O15118 1/20 0.53
MAPT P10636 1/20 0.53
RAB9A P51151 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
APP P05067 10/20 0.46
NCF1 P14598 6/20 0.46
MAOB P27338 2/20 0.46

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
SCHEMBL9985738 0.90 CA12 (0.50) KDM4EMAPK1TDP1NPC1MAPT
SCHEMBL22491568 0.86 APP (0.59) KDM4EMAPTAPPMAOB
SCHEMBL12745131 0.83 KDM4E (0.56) KDM4EMAPK1TDP1NPC1MAPT
SCHEMBL31498483 0.83 KDM4E (0.56) KDM4EMAPK1TDP1NPC1MAPT
SCHEMBL22491503 0.81 MAOB (0.53) KDM4EMAPK1TDP1MAPTRAB9A
SCHEMBL4063865 0.81 NCF1 (0.57) KDM4EMAPK1TDP1NPC1MAPT
SCHEMBL6542929 0.79 CA12 (0.50) KDM4EMAPK1TDP1NPC1MAPT
SCHEMBL7126896 0.79 AGXT (0.46) KDM4EMAPK1TDP1NPC1MAPT
SCHEMBL5750884 0.78 CYP2A6 (0.46) KDM4EMAPK1TDP1NPC1MAPT
SCHEMBL10458381 0.78 CA12 (0.59) KDM4EMAPK1TDP1NPC1MAPT

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 KDM4E 3675/4885MAPK1 3496/4885TDP1 1325/4885

“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.