SCHEMBL4015033

SCHEMBL4015033

O=C(NCCF)c1cncc(Br)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.65
KDM4E B2RXH2 1/20 0.63
POLB P06746 2/20 0.60
SMN1; SMN2 Q16637 4/20 0.59
ALDH1A1 P00352 3/20 0.59
NPC1 O15118 2/20 0.59
RAB9A P51151 2/20 0.59
CYP1A2 P05177 2/20 0.59
CYP3A4 P08684 2/20 0.59
CYP2C19 P33261 2/20 0.59
KMT2A Q03164 2/20 0.56
PHF13 Q86YI8 1/20 0.56
L3MBTL3 Q96JM7 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
PRKAB2 O43741 1/20 0.55
PRKAG1 P54619 1/20 0.55
PRKAA2 P54646 1/20 0.55
PRKAA1 Q13131 1/20 0.55
PRKAG3 Q9UGI9 1/20 0.55
PRKAG2 Q9UGJ0 1/20 0.55

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
SCHEMBL19688299 0.87 POLB (0.72) PKMKDM4EPOLBSMN1; SMN2ALDH1A1
SCHEMBL31533961 0.85 PKM (0.67) PKMKDM4EPOLBSMN1; SMN2ALDH1A1
SCHEMBL15228268 0.85 PKM (0.67) PKMKDM4EPOLBSMN1; SMN2ALDH1A1
SCHEMBL6361404 0.85 PKM (0.71) PKMKDM4EPOLBSMN1; SMN2ALDH1A1
SCHEMBL6393265 0.83 POLB (0.67) PKMKDM4EPOLBSMN1; SMN2ALDH1A1
SCHEMBL3824227 0.81 KDM4E (0.69) PKMKDM4EPOLBSMN1; SMN2ALDH1A1
SCHEMBL26426186 0.81 NPC1 (0.67) PKMKDM4EPOLBSMN1; SMN2ALDH1A1
SCHEMBL31313370 0.81 NPC1 (0.67) PKMKDM4EPOLBSMN1; SMN2ALDH1A1
SCHEMBL22753440 0.80 L3MBTL1 (0.67) PKMKDM4EPOLBSMN1; SMN2ALDH1A1
SCHEMBL31055444 0.80 PKM (0.64) PKMKDM4EPOLBSMN1; SMN2ALDH1A1

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 7 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
CN-100402512-C Benzo [1,2,5] * diazoles and benzo [1,2,5] thiadiazoles useful as histopathological staining agents, imaging agents and biomarkers NOVARTIS AG (CH) 2008-07-16 CN 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
CN-1768047-A Benzo[1,2,5]oxadiazoles and benzo [1,2,5]thiadiazoles useful as histopathological staining agents, imaging agents and biomarkers. NOVARTIS AG (CH) 2006-05-03 CN 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 PKM 3237/4885KDM4E 3716/4885POLB 2487/4885

“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.