SCHEMBL4015871

SCHEMBL4015871

CNc1cccc(-c2cccc3nonc23)c1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.41
MEN1 O00255 2/20 0.41
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
BRD4 O60885 1/20 0.40
BTK Q06187 1/20 0.37
ALDH1A1 P00352 3/20 0.36
NPC1 O15118 1/20 0.36
TSHR P16473 1/20 0.36
POLB P06746 1/20 0.35
GFER P55789 1/20 0.35
ARNT P27540 3/20 0.34
EPAS1 Q99814 3/20 0.34
NTRK1 P04629 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
SCHEMBL4785142 0.80 CHEK1 (0.47) KMT2AMEN1MAPK1TDP1L3MBTL1
SCHEMBL17197377 0.77 ALDH1A1 (0.47) KMT2AMEN1MAPK1TDP1L3MBTL1
SCHEMBL4016472 0.76 TDO2 (0.40) BRD4NPC1POLBNTRK1
SCHEMBL4786435 0.74 MAPK1 (0.45) KMT2AMEN1MAPK1TDP1L3MBTL1
SCHEMBL13836388 0.74 KMT2A (0.48) KMT2AMEN1MAPK1TDP1L3MBTL1
SCHEMBL4788108 0.73 KDM4E (0.46) L3MBTL1BRD4NPC1ARNTEPAS1
SCHEMBL24617986 0.71 BRD4 (0.53) KMT2AMEN1TDP1L3MBTL1BRD4
SCHEMBL23143361 0.70 MAPK1 (0.40) KMT2AMEN1MAPK1TDP1L3MBTL1
SCHEMBL61006 0.70 KMT2A (0.64) KMT2AMEN1MAPK1TDP1L3MBTL1
SCHEMBL4021984 0.69 KDM1A (0.45) KMT2AMEN1MAPK1TDP1L3MBTL1

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 3 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

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 KMT2A 3204/4885MEN1 1322/4885MAPK1 2840/4885

“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.