SCHEMBL2010279

SCHEMBL2010279

CC(=O)Nc1ccc(N2CCOCC2)c(O)c1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.60
HTT P42858 3/20 0.60
KDM4E B2RXH2 1/20 0.60
POLB P06746 3/20 0.55
RAB9A P51151 3/20 0.53
HPGD P15428 2/20 0.52
MOK Q9UQ07 1/20 0.52
MAPT P10636 4/20 0.51
LMNA P02545 4/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
MAPK1 P28482 1/20 0.51
TSHR P16473 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
NPC1 O15118 2/20 0.49
EPHX1 P07099 1/20 0.49

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
SCHEMBL8961536 0.89 ALDH1A1 (0.57) ALDH1A1HTTKDM4EPOLBRAB9A
SCHEMBL29769098 0.86 ALDH1A1 (0.63) ALDH1A1HTTKDM4EPOLBRAB9A
SCHEMBL29769157 0.86 RAB9A (0.70) ALDH1A1HTTKDM4EPOLBRAB9A
SCHEMBL20922083 0.84 HTT (0.66) ALDH1A1HTTKDM4EPOLBRAB9A
SCHEMBL17478627 0.83 KDM4E (0.67) ALDH1A1HTTKDM4ERAB9AHPGD
SCHEMBL2848712 0.82 HPGD (0.67) ALDH1A1HTTKDM4EPOLBRAB9A
SCHEMBL17359402 0.82 MAPT (0.43) ALDH1A1HTTKDM4ERAB9AHPGD
SCHEMBL8253702 0.81 ALDH1A1 (0.56) ALDH1A1HTTKDM4EPOLBRAB9A
SCHEMBL6814763 0.79 MAPT (0.66) ALDH1A1HTTRAB9AHPGDMAPT
SCHEMBL792380 0.79 ALDH1A1 (0.54) ALDH1A1HTTKDM4EPOLBRAB9A

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-8680095-B2 Heterocycle compounds and uses thereof for the prevention or treatment of diseases involving formation of amyloid plaques and/or where a dysfunction of the APP metabolism occurs INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2014-03-25 US disclosed
US-20120283256-A1 NEW HETEROCYCLE COMPOUNDS AND USES THEREOF FOR THE PREVENTION OR TREATMENT OF DISEASES INVOLVING FORMATION OF AMYLOID PLAQUES AND/OR WHERE A DYSFUNCTION OF THE APP METABOLISM OCCURS UNIVERSITE LILLE 1 - SCIENCES ET TECHNOLOGIES (FR) 2012-11-08 US disclosed
EP-2513062-A1 7-CHLORO-QUINOLIN-4-AMINE COMPOUNDS AND USES THEREOF FOR THE PREVENTION OR TREATMENT OF DISEASES INVOLVING FORMATION OF AMYLOID PLAQUES AND/OR WHERE A DYSFUNCTION OF THE APP METABOLISM OCCURS Institut National de la Santé et de la Recherche Médicale (FR) 2012-10-24 EP disclosed
WO-2011073322-A1 7-CHLORO-QUINOLIN-4-AMINE COMPOUNDS AND USES THEREOF FOR THE PREVENTION OR TREATMENT OF DISEASES INVOLVING FORMATION OF AMYLOID PLAQUES AND/OR WHERE A DYSFUNCTION OF THE APP METABOLISM OCCURS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2011-06-23 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-20120283256-A1 NEW HETEROCYCLE COMPOUNDS AND USES THEREOF FOR THE PREVENTION OR TREATMENT OF DISEASES INVOLVING FORMATION OF AMYLOID PLAQUES AND/OR WHERE A DYSFUNCTION OF THE APP METABOLISM OCCURS APP, BACE1, PSEN1 ALDH1A1 1615/4885HTT 30/4885KDM4E 4794/4885

“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.