SCHEMBL12426459

SCHEMBL12426459

CN1C=C(c2ccccc2OC(=O)N(C)C)c2ccccc2C1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.41
TSHR P16473 2/20 0.40
NCEH1 Q6PIU2 5/20 0.38
PKM P14618 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
KDM4E B2RXH2 1/20 0.37
BCHE P06276 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL16965297 0.75 NCEH1 (0.54) TSHRNCEH1PKMNPC1RAB9A
SCHEMBL29728586 0.75 NCEH1 (0.54) TSHRNCEH1PKMNPC1RAB9A
SCHEMBL16965115 0.70 RAB9A (0.60) TSHRNCEH1PKMNPC1RAB9A
SCHEMBL29848737 0.68 NPC1 (0.42) TSHRPKMNPC1RAB9AKDM4E
SCHEMBL12426444 0.67 TSHR (0.43) ACHETSHRPKMNPC1RAB9A
SCHEMBL12426450 0.66 ACHE (0.60) ACHETSHRNCEH1KDM4E
SCHEMBL14626156 0.66 ACHE (0.45) ACHETSHRNCEH1RAB9AKDM4E
SCHEMBL12426436 0.66 ACHE (0.44) ACHETSHRKDM4E
SCHEMBL8716660 0.65 KDM4E (0.43) TSHRPKMNPC1RAB9AKDM4E
SCHEMBL9332312 0.64 KDM4E (0.39) TSHRPKMNPC1RAB9AKDM4E

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7977354-B2 Heterocyclic compounds, their preparation and their use as medicaments, in particular as anti-alzheimer agents INSA ROUEN (FR) 2011-07-12 US disclosed
US-7977354-B2 Heterocyclic compounds, their preparation and their use as medicaments, in particular as anti-alzheimer agents INSA ROUEN (FR) 2011-07-12 US disclosed
US-20090062279-A1 HETEROCYCLIC COMPOUNDS, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS, IN PARTICULAR AS ANTI-ALZHEIMER AGENTS INSA ROUEN (FR) 2009-03-05 US disclosed
US-20090062279-A1 HETEROCYCLIC COMPOUNDS, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS, IN PARTICULAR AS ANTI-ALZHEIMER AGENTS INSA ROUEN (FR) 2009-03-05 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-20090062279-A1 HETEROCYCLIC COMPOUNDS, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS, IN PARTICULAR AS ANTI-ALZHEIMER AGENTS NLN, SNCA, APP ACHE 17/4885TSHR 4786/4885NCEH1 1379/4885

“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.