SCHEMBL6739488

SCHEMBL6739488

O=C(C[N+](=O)[O-])C(=O)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CES2 O00748 15/20 0.55
CES1 P23141 13/20 0.55
ALDH1A1 P00352 1/20 0.46
HTT P42858 1/20 0.46
CPA1 P15085 3/20 0.44
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
XBP1 P17861 1/20 0.42
ATM Q13315 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL280150 0.81 MAPT (0.54) CES2CES1ALDH1A1HTTCPA1
Hydrochloric Acid SCHEMBL27286730 0.79 MAPT (0.52) CES2CES1ALDH1A1HTTCPA1
SCHEMBL29875401 0.75 ALDH1A1 (0.46) CES2CES1ALDH1A1HTTCPA1
SCHEMBL1984045 0.75 MAOA (0.44) CES2CES1ALDH1A1HTTCPA1
SCHEMBL14141728 0.75 CES2 (0.75) CES2CES1ALDH1A1HTTLMNA
SCHEMBL13875468 0.75 CES1 (0.67) CES2CES1ALDH1A1MAPTSMN1; SMN2
SCHEMBL5682430 0.75 MEN1 (0.57) CES2CES1ALDH1A1HTTCPA1
SCHEMBL361897 0.74 CES2 (0.59) CES2CES1ALDH1A1
SCHEMBL28185548 0.73 PRMT1 (0.43) CES2CES1ALDH1A1HTTCPA1
SCHEMBL5318745 0.73 CES2 (0.64) CES2CES1ALDH1A1MAPTSMN1; 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-20040110757-A1 Flt-1 ligands and their uses in the treatment of diseases regulatable by angiogenesis ARRHENIUS THOMAS (US) 2004-06-10 US disclosed
EP-1370250-A2 FLT-1 LIGANDS AND THEIR USES IN THE TREATMENT OF DISEASES REGULATABLE BY ANGIOGENESIS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-12-17 EP disclosed
WO-2002076438-A2 FLT-1 LIGANDS AND THEIR USES IN THE TREATMENT OF DISEASES REGULATABLE BY ANGIOGENESIS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2002-10-03 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-20040110757-A1 Flt-1 ligands and their uses in the treatment of diseases regulatable by angiogenesis FLT1, FLT4, TEK CES2 4224/4885CES1 1825/4885ALDH1A1 757/4885

“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.