SCHEMBL2539938

SCHEMBL2539938

BrCCCCCCc1cn[nH]c1

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AKT2 P31751 1/20 0.39
NOS2 P35228 1/20 0.35
NAMPT P43490 1/20 0.34
KCNH2 Q12809 2/20 0.32
HRH2 P25021 1/20 0.32
LMNA P02545 1/20 0.31
APEX1 P27695 1/20 0.31
PMP22 Q01453 1/20 0.31
THRA P10827 1/20 0.30
THRB P10828 1/20 0.30

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
SCHEMBL24866428 0.89 AKT2 (0.44) AKT2NOS2NAMPTKCNH2HRH2
SCHEMBL23732868 0.83
SCHEMBL26999527 0.80 PTGS2 (0.47) LMNA
SCHEMBL2541661 0.80 PTGS2 (0.47) LMNA
SCHEMBL10948171 0.80 PTGS2 (0.47) LMNA
SCHEMBL20539012 0.80 PTGS2 (0.47) LMNA
SCHEMBL21263656 0.78 NOS2 (0.44) AKT2NOS2KCNH2LMNAAPEX1
SCHEMBL458851 0.78 TDP1 (0.44) AKT2NOS2LMNA
SCHEMBL5067336 0.78 AKT2 (0.56) AKT2
SCHEMBL836016 0.75

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1185302-B1 SPECIFICALLY TARGETED CATALYTIC ANTAGONISTS AND USES THEREOF GENENCOR INT (US) 2013-07-24 EP disclosed
EP-1185302-B1 SPECIFICALLY TARGETED CATALYTIC ANTAGONISTS AND USES THEREOF GENENCOR INT (US) 2013-07-24 EP disclosed
US-8431121-B2 Specifically targeted catalytic antagonists and uses thereof DANISCO US INC. (US) 2013-04-30 US disclosed
US-20110262419-A1 SPECIFICALLY TARGETED CATALYTIC ANTAGONISTS AND USES THEREOF DANISCO US, INC. (US) 2011-10-27 US disclosed
US-20040170618-A1 antagonists bind to a recognized target (e.g., a receptor); the enzyme component of the chimera then degrades the target resulting in a reduction of activity of the target and release of the chimeric molecule, which is then free to attack and degrade another target molecule. DAVIS BENJAMIN G (GB) 2004-09-02 US disclosed
EP-1185302-A2 SPECIFICALLY TARGETED CATALYTIC ANTAGONISTS AND USES THEREOF GENENCOR INTERNATIONAL, INC. (US) 2002-03-13 EP disclosed
WO-2000064485-A9 SPECIFICALLY TARGETED CATALYTIC ANTAGONISTS AND USES THEREOF GENENCOR INT (US) 2001-07-19 WO disclosed
WO-2000064485-A2 SPECIFICALLY TARGETED CATALYTIC ANTAGONISTS AND USES THEREOF GENENCOR INTERNATIONAL, INC. (US) 2000-11-02 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 (2 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-20110262419-A1 SPECIFICALLY TARGETED CATALYTIC ANTAGONISTS AND USES THEREOF ENGASE, GAA, DNPEP AKT2 2536/4885NOS2 4728/4885NAMPT 1715/4885
US-20040170618-A1 antagonists bind to a recognized target (e.g., a receptor); the enzyme component of the chimera then degrades the target resulting in a reduction of activity of the target and release of the chimeric molecule, which is then free to attack and degrade another target molecule. ENGASE, GPR84, ADGRF1 AKT2 4142/4885NOS2 4724/4885NAMPT 3230/4885

“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.