SCHEMBL2014694

SCHEMBL2014694

Nc1cc(C(=O)N2CCCC2)cc(C(=O)N2CCCC2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 1.00
HPGD P15428 12/20 0.63
HSD11B1 P28845 1/20 0.62
ALDH1A1 P00352 3/20 0.57
GAA P10253 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
SERPINE1 P05121 1/20 0.48
CA12 O43570 2/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA7 P43166 2/20 0.47
CA9 Q16790 2/20 0.47
CA14 Q9ULX7 2/20 0.47
MAPK1 P28482 2/20 0.47
MLYCD O95822 1/20 0.46
USP2 O75604 1/20 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
SCHEMBL13495499 0.87 KDM4E (0.77) KDM4EHPGDHSD11B1ALDH1A1GAA
SCHEMBL3104372 0.87 KDM4E (0.77) KDM4EHPGDHSD11B1ALDH1A1GAA
SCHEMBL15054039 0.87 KDM4E (0.75) KDM4EHPGDHSD11B1ALDH1A1GAA
SCHEMBL30380803 0.86 KDM4E (0.74) KDM4EHPGDHSD11B1ALDH1A1GAA
SCHEMBL21930867 0.83 KDM4E (0.71) KDM4EHPGDHSD11B1ALDH1A1GAA
SCHEMBL13243072 0.83 KDM4E (0.70) KDM4EHPGDHSD11B1MLYCDUSP2
SCHEMBL15054978 0.83 KDM4E (0.70) KDM4EHPGDHSD11B1ALDH1A1GAA
SCHEMBL15054638 0.82 KDM4E (0.68) KDM4EHPGDHSD11B1ALDH1A1SMN1; SMN2
SCHEMBL1877596 0.81 KDM4E (0.68) KDM4EHPGDALDH1A1GAASMN1; SMN2
Hydrochloric Acid SCHEMBL7128756 0.80 KDM4E (0.66) KDM4EHPGDALDH1A1GAASMN1; SMN2

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 KDM4E 4794/4885HPGD 24/4885HSD11B1 391/4885

“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.