Sugi Predict

Sugi Predict / Compounds / SCHEMBL4015930

SCHEMBL4015930

SCHEMBL4015930

CN(C(=O)OC(C)(C)C)c1ccc(-c2ccc3nonc3c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PAX8 Q06710 1/20 0.50
▸ RIPK2 O43353 1/20 0.40
▸ BRD4 O60885 2/20 0.39
▸ CREBBP Q92793 1/20 0.39
▸ PIK3CD O00329 1/20 0.35
▸ NPC1 O15118 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ MAP4K4 O95819 1/20 0.34
▸ ENPP2 Q13822 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ KAT6A Q92794 1/20 0.34
▸ KAT5 Q92993 1/20 0.34
▸ KAT8 Q9H7Z6 1/20 0.34
▸ AAK1 Q2M2I8 1/20 0.33
▸ LRRK2 Q5S007 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ ROCK2 O75116 1/20 0.33
▸ ABL1 P00519 1/20 0.33

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
SCHEMBL4013538 0.84 PAX8 (0.41) PAX8RIPK2BRD4CREBBPNPC1
SCHEMBL4015928 0.82 PAX8 (0.53) PAX8BRD4CREBBPPIK3CDNPC1
SCHEMBL8018111 0.77 PAX8 (0.55) PAX8BRD4CREBBPNPC1MAPT
SCHEMBL1691044 0.76 PAX8 (0.60) PAX8BRD4CREBBPNPC1MAPT
SCHEMBL4499060 0.74 CYP1A2 (0.49) NPC1MAPTRAB9AENPP2ALDH1A1
SCHEMBL14715354 0.74 PAX8 (0.54) PAX8BRD4CREBBPNPC1POLB
SCHEMBL483842 0.72 PAX8 (0.60) PAX8BRD4CREBBPPIK3CDNPC1
SCHEMBL24486163 0.72 PAX8 (0.50) PAX8BRD4CREBBPMAPTRAB9A
SCHEMBL21093739 0.72 PAX8 (0.50) PAX8BRD4CREBBPPOLBRAB9A
SCHEMBL30504285 0.72 BRD4 (0.62) PAX8BRD4CREBBPRAB9AKAT8

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 1249/4885RIPK2 4711/4885BRD4 149/4885

“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.