SCHEMBL4014920

SCHEMBL4014920

FCCOc1ccc(-c2cccc3nonc23)cc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.42
CYP1B1 Q16678 1/20 0.41
S1PR1 P21453 2/20 0.37
POLB P06746 1/20 0.35
RAB9A P51151 1/20 0.35
MAPT P10636 2/20 0.35
FFAR4 Q5NUL3 2/20 0.35
APP P05067 4/20 0.34
PDCD1 Q15116 1/20 0.34
CD274 Q9NZQ7 1/20 0.34
ALDH1A1 P00352 2/20 0.34
RECQL P46063 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
NPSR1 Q6W5P4 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
SCHEMBL20703627 0.76 ALDH1A1 (0.43) CD274ALDH1A1KDM4EMEN1KMT2A
SCHEMBL4017940 0.74 MAPT (0.44) CYP1B1S1PR1MAPTAPP
SCHEMBL17197377 0.73 ALDH1A1 (0.47) POLBMAPTPDCD1CD274ALDH1A1
SCHEMBL13836388 0.71 KMT2A (0.48) POLBMAPTALDH1A1RECQLMEN1
SCHEMBL23143361 0.71 MAPK1 (0.40) RAB9AMAPTALDH1A1KDM4EMEN1
SCHEMBL4016046 0.70 DRD3 (0.44) MAPTAPP
SCHEMBL24270372 0.70 CYP19A1 (0.50) ALDH1A1KDM4EL3MBTL1
SCHEMBL4021984 0.69 KDM1A (0.45) RAB9AMAPTAPPALDH1A1RECQL
SCHEMBL4783996 0.69 NPC1 (0.44) S1PR1POLBRAB9AAPPMEN1
SCHEMBL10458215 0.69 APP (0.53) CYP1B1MAPTAPPALDH1A1RECQL

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 PARP1 2263/4885CYP1B1 451/4885S1PR1 3206/4885

“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.