SCHEMBL6613337

SCHEMBL6613337

Brc1ccccn1.Nc1ccc(I)cn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 2/20 0.45
NOS2 P35228 2/20 0.45
NOS1 P29475 1/20 0.45
PI4KA P42356 1/20 0.45
PI4K2B Q8TCG2 1/20 0.45
PI4K2A Q9BTU6 1/20 0.45
PI4KB Q9UBF8 1/20 0.45
HDAC8 Q9BY41 1/20 0.36
MAP4K4 O95819 1/20 0.35
PIK3CD O00329 3/20 0.34
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
KDM4E B2RXH2 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
GLA P06280 1/20 0.33
MAPT P10636 1/20 0.33
GRM5 P41594 1/20 0.33
PDPK1 O15530 1/20 0.32
DYRK1A Q13627 1/20 0.32

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
SCHEMBL18151 0.79
Iodide SCHEMBL10484675 0.75 NOS3 (0.46) NOS3NOS2NOS1PI4KAPI4K2B
Iodide SCHEMBL10484569 0.75 NOS3 (0.46) NOS3NOS2NOS1PI4KAPI4K2B
SCHEMBL18660494 0.74
SCHEMBL6536 0.74
SCHEMBL3361754 0.74
SCHEMBL7968855 0.74 KDM4E (0.50) NOS3NOS2NOS1PI4KAPI4K2B
SCHEMBL29389987 0.74
SCHEMBL10484568 0.73 NOS3 (0.44) NOS3NOS2NOS1PI4KAPI4K2B
Iodide SCHEMBL7533805 0.73 NOS3 (0.44) NOS3NOS2NOS1PI4KAPI4K2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1289984-A4 NOVEL OXAZOLIDINONE DERIVATIVES AND A PROCESS FOR THE PREPARATION THEREOF DONG A PHARM CO LTD (KR) 2004-11-24 EP disclosed
US-6689779-B2 PYRIDINE OR PYRIMIDINE SUBSTITUTED; ANTIBACTERIAL ACTIVITY; LOW TOXICITY DONG A PHARM. CO., LTD. (KR) 2004-02-10 US disclosed
US-20030166620-A1 Novel oxazolidinone derivatives and a process for the preparation thereof DONG A PHARM. CO., LTD. (KR) 2003-09-04 US disclosed
EP-1289984-A1 NOVEL OXAZOLIDINONE DERIVATIVES AND A PROCESS FOR THE PREPARATION THEREOF Dong A Pharmaceutical Co. Ltd. (KR) 2003-03-12 EP disclosed
WO-2001094342-A1 NOVEL OXAZOLIDINONE DERIVATIVES AND A PROCESS FOR THE PREPARATION THEREOF DONG A PHARM. CO., LTD. (KR) 2001-12-13 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-20030166620-A1 Novel oxazolidinone derivatives and a process for the preparation thereof OXA1L, ODC1, PDCD4 NOS3 2466/4885NOS2 2640/4885NOS1 2472/4885

“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.