SCHEMBL4013341

SCHEMBL4013341

O=C(NCCF)c1cnccc1C1=CC2=CNON2C=C1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 1/20 0.32
ACVRL1 P37023 1/20 0.32
MAPT P10636 1/20 0.32
CCNC P24863 1/20 0.31
CDK8 P49336 1/20 0.31
HASPIN Q8TF76 1/20 0.31
ALDH1A1 P00352 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
EGLN1 Q9GZT9 1/20 0.31
MAOB P27338 1/20 0.30
PIM1 P11309 2/20 0.30

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
SCHEMBL4018524 0.68 APP (0.34)
SCHEMBL13162006 0.68 SIRT3 (0.51) TGFBR1ACVRL1MAPTALDH1A1SMN1; SMN2
SCHEMBL4013344 0.64 MAPT (0.39) TGFBR1ACVRL1MAPTEGLN1
SCHEMBL13162032 0.61 KMT2A (0.52) SMN1; SMN2PIM1
SCHEMBL4017932 0.60 CYP1B1 (0.34) ALDH1A1
SCHEMBL5904267 0.60 ALDH1A1 (0.54) TGFBR1ACVRL1MAPTALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL5904437 0.59 ALDH1A1 (0.53) TGFBR1ACVRL1MAPTALDH1A1SMN1; SMN2
SCHEMBL13634518 0.57 SIRT3 (0.50) CCNCCDK8HASPINPIM1
SCHEMBL13986993 0.56 GSK3B (0.64) MAPT
SCHEMBL13162035 0.56 SIRT3 (0.53) TGFBR1ACVRL1MAPTALDH1A1SMN1; SMN2

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 TGFBR1 2661/4885ACVRL1 1873/4885MAPT 2136/4885

“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.