SCHEMBL4021063

SCHEMBL4021063

O=C(OCc1ccccc1)N(CCF)c1ccc(Br)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.46
HPGD P15428 4/20 0.46
MAPT P10636 2/20 0.46
KDM4E B2RXH2 1/20 0.46
KMT2A Q03164 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 1/20 0.41
TP53 P04637 1/20 0.41
CCR6 P51684 1/20 0.40
PAX8 Q06710 1/20 0.40
FABP7 O15540 1/20 0.40
FABP5 Q01469 1/20 0.40
ENPP2 Q13822 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A3 Q01959 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
NPC1 O15118 1/20 0.38

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
SCHEMBL4507329 0.88 ALDH1A1 (0.47) ALDH1A1HPGDMAPTKDM4EKMT2A
SCHEMBL28394951 0.83 ALDH1A1 (0.51) ALDH1A1HPGDMAPTKDM4EKMT2A
SCHEMBL4017508 0.78 ADORA3 (0.40) ALDH1A1HPGDMAPTENPP2
SCHEMBL12311314 0.77 PAX8 (0.49) ALDH1A1HPGDMAPTKMT2ASMN1; SMN2
SCHEMBL12311342 0.76 ALDH1A1 (0.50) ALDH1A1HPGDMAPTKMT2ASMN1; SMN2
SCHEMBL3084308 0.76 ALDH1A1 (0.50) ALDH1A1HPGDMAPTKMT2ASMN1; SMN2
SCHEMBL10126799 0.74 ALDH1A1 (0.49) ALDH1A1HPGDMAPTKDM4ESMN1; SMN2
SCHEMBL7350797 0.73 ALDH1A1 (0.49) ALDH1A1HPGDMAPTKMT2ASMN1; SMN2
SCHEMBL28394950 0.72 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2PAX8L3MBTL1NPC1
SCHEMBL7624972 0.72 LMNA (0.49) ALDH1A1HPGDMAPTKMT2ACCR6

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
US-7632851-B2 Benzo[1,2,5]oxadiazoles and benzol[1,2,5]thiadiazoles useful as histopathological staining agents, imaging agents and biomarkers NOVARTIS AG (CH) 2009-12-15 US disclosed
EP-1613610-B1 BENZO 1,2,5 OXADIAZOLES AND BENZO 1,2,5 THIADIAZOLES USEFUL AS HISTOPATHOLOGICAL STAINING AGENTS, IMAGING AGENTS AND BIOMARKERS NOVARTIS AG (CH) 2009-07-01 EP disclosed
US-20060093551-A1 Benzo[1,2,5]oxadiazoles and benzol[1,2,5]thiadiazoles useful as histopathological staining agents, imaging agents and biomarkers NOVARTIS AG (CH) 2006-05-04 US disclosed
EP-1613610-A1 BENZO 1,2,5 OXADIAZOLES AND BENZO 1,2,5 THIADIAZOLES USEFUL AS HISTOPATHOLOGICAL STAINING AGENTS, IMAGING AGENTS AND BIOMARKERS Novartis AG (CH) 2006-01-11 EP disclosed
WO-2004087684-A1 BENZO[1,2,5]OXADIAZOLES AND BENZO [1,2,5]THIADIAZOLES USEFUL AS HISTOPATHOLOGICAL STAINING AGENTS, IMAGING AGENTS AND BIOMARKERS NOVARTIS AG (CH) 2004-10-14 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-20060093551-A1 Benzo[1,2,5]oxadiazoles and benzol[1,2,5]thiadiazoles useful as histopathological staining agents, imaging agents and biomarkers H1-3, MKI67, H1-5 ALDH1A1 551/4885HPGD 410/4885MAPT 2136/4885

“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.