SCHEMBL2011449

SCHEMBL2011449

CN1CCN(Cc2cc([N+](=O)[O-])ccc2N2CCN(C)CC2)CC1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.54
GAA P10253 3/20 0.54
HTT P42858 2/20 0.54
ALDH1A1 P00352 7/20 0.53
CYP1A2 P05177 2/20 0.53
CYP3A4 P08684 2/20 0.53
CYP2C19 P33261 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
SIRT6 Q8N6T7 1/20 0.52
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
ACHE P22303 2/20 0.50
WDR5 P61964 2/20 0.50
POLB P06746 1/20 0.50
HTR6 P50406 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
SCHEMBL15506819 0.85 HTT (0.55) LMNAGAAHTTALDH1A1CYP1A2
SCHEMBL25329551 0.85 ALDH1A1 (0.55) LMNAGAAHTTALDH1A1CYP1A2
SCHEMBL1971542 0.85 ALDH1A1 (0.57) LMNAGAAHTTALDH1A1CYP1A2
SCHEMBL17979918 0.83 LMNA (0.51) LMNAALDH1A1SMN1; SMN2SIRT6HTR6
SCHEMBL25328483 0.83 HTT (0.53) LMNAGAAHTTALDH1A1CYP1A2
SCHEMBL14999775 0.82 CDK1 (0.50) LMNAALDH1A1SMN1; SMN2SIRT6KMT2A
SCHEMBL25416781 0.82 CTSB (0.71) LMNAHTTALDH1A1SMN1; SMN2SIRT6
SCHEMBL4362133 0.82 LMNA (0.71) LMNAGAAHTTALDH1A1CYP1A2
SCHEMBL1968454 0.82 ALDH1A1 (0.60) LMNAGAAHTTALDH1A1CYP1A2
SCHEMBL19500738 0.81 CDK1 (0.49) LMNAALDH1A1SMN1; SMN2SIRT6HTR6

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 LMNA 694/4885GAA 537/4885HTT 30/4885

“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.