SCHEMBL5454911

SCHEMBL5454911

Clc1nc(-c2ncc[nH]2)[nH]c1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 2/20 0.45
MTOR P42345 1/20 0.45
ADK P55263 1/20 0.45
IDO1 P14902 1/20 0.45
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 1/20 0.42
ALDH1A1 P00352 3/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ADRA2A P08913 4/20 0.39
KDM4E B2RXH2 2/20 0.38
ADRA2C P18825 3/20 0.36
ADRA2B P18089 2/20 0.36
ADORA2A P29274 2/20 0.36
ADORA1 P30542 2/20 0.36
ADRA1D P25100 1/20 0.35
ADRA1A P35348 1/20 0.35
ADRA1B P35368 1/20 0.35

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
SCHEMBL81650 0.76 NISCH (0.59) NISCHMTORADKIDO1PDE4A
Hydrochloric Acid SCHEMBL1536214 0.74 NISCH (0.56) NISCHMTORADKIDO1PDE4A
SCHEMBL28425230 0.74 NISCH (0.56) NISCHMTORADKIDO1PDE4A
SCHEMBL1485376 0.72 NISCH (0.42) NISCHMTORADKIDO1ALDH1A1
SCHEMBL9668673 0.71 PDE4A (0.55) NISCHMTORADKIDO1PDE4A
SCHEMBL3073258 0.71 NPC1 (0.70) MTORIDO1ALDH1A1KDM4EADORA2A
SCHEMBL5448437 0.69 NISCH (0.46) NISCHMTORADKIDO1PDE4A
SCHEMBL482165 0.68 NISCH (0.64) NISCHMTORADKPDE4APDE4B
SCHEMBL5189834 0.68 NISCH (0.42) NISCHMTORADKIDO1PDE4A
SCHEMBL7165260 0.68 MEN1 (0.47) NISCHMTORADKIDO1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8557989-B2 Electrochemical affinity biosensor system and methods ROCHE DIAGNOSTICS OPERATIONS, INC. (US) 2013-10-15 US disclosed
US-20130213822-A1 ELECTROCHEMICAL AFFINITY BIOSENSOR SYSTEM AND METHODS ROCHE DIAGNOSTICS OPERATIONS, INC. (US) 2013-08-22 US disclosed
US-8293904-B2 Electrochemical affinity biosensor system and methods ROCHE DIAGNOSTICS OPERATIONS, INC. (US) 2012-10-23 US disclosed
US-8288544-B2 Electrochemical affinity biosensor system and methods ROCHE DIAGNOSTICS OPERATIONS, INC. (US) 2012-10-16 US disclosed
EP-1646637-B1 ELECTROCHEMICAL AFFINITY BIOSENSOR SYSTEM AND METHODS ROCHE DIAGNOSTICS GMBH (DE) 2012-08-15 EP disclosed
EP-2465862-A1 Mononuclear osmium complexes for use in biosensors Roche Diagniostics GmbH (DE) 2012-06-20 EP disclosed
US-20120125788-A1 ELECTROCHEMICAL AFFINITY BIOSENSOR SYSTEM AND METHODS ROCHE DIAGNOSTICS OPERATIONS, INC. 2012-05-24 US disclosed
US-20070054317-A1 Electrochemical affinity biosensor system and methods ROCHE DIAGNOSTICS OPERATIONS, INC. 2007-03-08 US disclosed
EP-1646637-A2 ELECTROCHEMICAL AFFINITY BIOSENSOR SYSTEM AND METHODS Roche Diagnostics GmbH (DE) 2006-04-19 EP disclosed
WO-2005026178-A2 ELECTROCHEMICAL AFFINITY BIOSENSOR SYSTEM AND METHODS ROCHE DIAGNOSTICS GMBH (DE) 2005-03-24 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 (3 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-20070054317-A1 Electrochemical affinity biosensor system and methods SIGLEC7, FCGR3B, FCER2 NISCH 809/4885MTOR 4504/4885ADK 1640/4885
US-20130213822-A1 ELECTROCHEMICAL AFFINITY BIOSENSOR SYSTEM AND METHODS SIGLEC7, FCGR3B, FCER2 NISCH 809/4885MTOR 4504/4885ADK 1640/4885
US-20120125788-A1 ELECTROCHEMICAL AFFINITY BIOSENSOR SYSTEM AND METHODS SIGLEC7, FCGR3B, FCER2 NISCH 809/4885MTOR 4504/4885ADK 1640/4885

“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.