SCHEMBL2014741

SCHEMBL2014741

CC(=O)Nc1ccc(CN2CCCC2)c(O)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.61
ALDH1A1 P00352 2/20 0.61
MOK Q9UQ07 1/20 0.52
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
HTT P42858 1/20 0.49
POLB P06746 1/20 0.48
GAA P10253 1/20 0.48
MAPT P10636 1/20 0.48
TP53 P04637 1/20 0.47
ALOX15 P16050 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
PKM P14618 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C19 P33261 1/20 0.47
GFER P55789 1/20 0.47
BCHE P06276 3/20 0.46
ACHE P22303 2/20 0.46
ATAD2 Q6PL18 1/20 0.45

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
SCHEMBL28837435 0.89 KDM4E (0.61) KDM4EALDH1A1MOKMEN1KMT2A
SCHEMBL18491364 0.88 MOK (0.55) KDM4EALDH1A1MOKMEN1KMT2A
SCHEMBL6232831 0.82 KDM4E (0.52) KDM4EALDH1A1MOKMEN1KMT2A
SCHEMBL20922005 0.81 KDM4E (0.56) KDM4EALDH1A1CYP3A4
SCHEMBL6273594 0.81 ALDH1A1 (0.57) KDM4EALDH1A1MOKMEN1KMT2A
SCHEMBL2855498 0.78 POLB (0.63) KDM4EALDH1A1MEN1KMT2AHTT
SCHEMBL7768342 0.77 CHRM3 (0.48) KDM4EALDH1A1MOKMEN1KMT2A
SCHEMBL15156423 0.76 KDM4E (1.00) KDM4EALDH1A1MEN1KMT2AGAA
SCHEMBL13306136 0.75 ACHE (0.57) KDM4EALDH1A1SMN1; SMN2GFERBCHE
SCHEMBL10702311 0.75 KDM4E (0.67) KDM4EALDH1A1MEN1KMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0398702-A2 Dye couplers Bristol-Myers Squibb Company (US) 1990-11-22 EP claimed
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
EP-0398702-A2 Dye couplers Bristol-Myers Squibb Company (US) 1990-11-22 EP 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 KDM4E 4794/4885ALDH1A1 1615/4885MOK 3700/4885

“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.