SCHEMBL2011166

SCHEMBL2011166

Cc1cc([N+](=O)[O-])cc(CN)c1Br

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.49
CYP3A4 P08684 5/20 0.49
TDP1 Q9NUW8 3/20 0.49
HTT P42858 2/20 0.49
POLB P06746 1/20 0.49
TSHR P16473 4/20 0.43
GPR35 Q9HC97 1/20 0.42
CYP1A2 P05177 1/20 0.40
LOXL2 Q9Y4K0 1/20 0.39
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CYP19A1 P11511 1/20 0.36
KAT2B Q92831 1/20 0.36
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
KMT2A Q03164 1/20 0.35
NPC1 O15118 1/20 0.35
ACHE P22303 2/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL14287871 0.86 HTT (0.56) ALDH1A1CYP3A4TDP1HTTPOLB
SCHEMBL5747544 0.84 ALDH1A1 (0.46) ALDH1A1CYP3A4TDP1HTTPOLB
SCHEMBL31490717 0.84 ALDH1A1 (0.46) ALDH1A1CYP3A4TDP1HTTPOLB
SCHEMBL27734374 0.81 ALDH1A1 (0.43) ALDH1A1CYP3A4TDP1HTTPOLB
SCHEMBL2659395 0.81 ALDH1A1 (0.57) ALDH1A1CYP3A4TDP1HTTPOLB
SCHEMBL13386182 0.79 GPR35 (0.59) ALDH1A1CYP3A4TDP1HTTPOLB
SCHEMBL5746519 0.79 CYP1A2 (0.49) ALDH1A1CYP3A4TDP1HTTPOLB
SCHEMBL5746824 0.79 ALDH1A1 (0.41) ALDH1A1CYP3A4TDP1HTTPOLB
SCHEMBL2144780 0.77 ALDH1A1 (0.63) ALDH1A1CYP3A4TDP1HTTPOLB
SCHEMBL13583170 0.76 ALDH1A1 (0.41) ALDH1A1CYP3A4TDP1HTTPOLB

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 1615/4885CYP3A4 882/4885TDP1 610/4885

“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.