SCHEMBL5452994

SCHEMBL5452994

NNCCc1c[nH]cn1.[Os]

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.34
KDM1A O60341 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
HTR1A P08908 1/20 0.34
ADRA2A P08913 1/20 0.34
CYP2C8 P10632 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
IDO1 P14902 1/20 0.34
TSHR P16473 1/20 0.34
NFKB1 P19838 1/20 0.34
MAOA P21397 1/20 0.34
PTGS1 P23219 1/20 0.34
SLC6A2 P23975 1/20 0.34
MAOB P27338 1/20 0.34
CYP2C19 P33261 1/20 0.34
ADRA1A P35348 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
Hydrochloric Acid SCHEMBL28055393 0.98 NPC1 (0.33) NPC1KDM1AALDH1A1LMNACYP1A2
SCHEMBL31364603 0.83 ALDH1A1 (0.31) ALDH1A1CYP1A2CYP2C19
SCHEMBL31364605 0.83 ALDH1A1 (0.31) ALDH1A1CYP1A2CYP2C19
SCHEMBL11289554 0.79
SCHEMBL3379483 0.79
SCHEMBL1373825 0.79
SCHEMBL7333427 0.79 CA12 (0.37) ALDH1A1LMNA
Histamine SCHEMBL32672530 0.78
SCHEMBL17654953 0.78 EPHX2 (0.33) ALDH1A1CYP1A2CYP2D6TSHR
Bromide SCHEMBL1423332 0.78 HRH3 (0.44) ALDH1A1LMNAHTR1A

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 NPC1 3465/4885KDM1A 4683/4885ALDH1A1 1343/4885
US-20130213822-A1 ELECTROCHEMICAL AFFINITY BIOSENSOR SYSTEM AND METHODS SIGLEC7, FCGR3B, FCER2 NPC1 3465/4885KDM1A 4683/4885ALDH1A1 1343/4885
US-20120125788-A1 ELECTROCHEMICAL AFFINITY BIOSENSOR SYSTEM AND METHODS SIGLEC7, FCGR3B, FCER2 NPC1 3465/4885KDM1A 4683/4885ALDH1A1 1343/4885

“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.