SCHEMBL4015928

SCHEMBL4015928

CN(C(=O)OC(C)(C)C)c1ccc(-c2ccc3nsnc3c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAX8 Q06710 1/20 0.53
MAPT P10636 7/20 0.46
POLB P06746 2/20 0.46
SMN1; SMN2 Q16637 4/20 0.41
ALDH1A1 P00352 3/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
BRD4 O60885 2/20 0.39
CREBBP Q92793 1/20 0.39
MEN1 O00255 5/20 0.38
KMT2A Q03164 5/20 0.38
KDM4E B2RXH2 2/20 0.37
GAA P10253 3/20 0.35
APAF1 O14727 1/20 0.35
TDP2 O95551 1/20 0.35
CASP3 P42574 1/20 0.35
BLM P54132 1/20 0.35
CASP6 P55212 1/20 0.35
ATM Q13315 1/20 0.35
SENP8 Q96LD8 1/20 0.35

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
SCHEMBL4015930 0.82 PAX8 (0.50) PAX8MAPTPOLBALDH1A1NPC1
SCHEMBL8018111 0.77 PAX8 (0.55) PAX8MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL1691044 0.76 PAX8 (0.60) PAX8MAPTSMN1; SMN2ALDH1A1NPC1
SCHEMBL14715354 0.74 PAX8 (0.54) PAX8MAPTPOLBSMN1; SMN2NPC1
SCHEMBL483842 0.72 PAX8 (0.60) PAX8SMN1; SMN2NPC1RAB9ABRD4
SCHEMBL24486163 0.72 PAX8 (0.50) PAX8MAPTSMN1; SMN2ALDH1A1RAB9A
SCHEMBL21093739 0.72 PAX8 (0.50) PAX8POLBSMN1; SMN2ALDH1A1RAB9A
SCHEMBL30504285 0.72 BRD4 (0.62) PAX8RAB9ABRD4CREBBPMEN1
SCHEMBL14923605 0.72 PAX8 (0.47) PAX8MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL18027572 0.72 ESR1 (0.56) PAX8MAPTBRD4CREBBPKAT6A

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 PAX8 1249/4885MAPT 2136/4885POLB 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.