SCHEMBL6745448

SCHEMBL6745448

O=[N+]([O-])c1ccc(NCCBr)c([N+](=O)[O-])c1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.59
POLB P06746 3/20 0.59
PKM P14618 2/20 0.59
KDM4E B2RXH2 2/20 0.55
ALDH1A1 P00352 2/20 0.54
KMT2A Q03164 3/20 0.50
MAPK1 P28482 2/20 0.50
MEN1 O00255 2/20 0.50
BCHE P06276 1/20 0.49
ACHE P22303 1/20 0.49
LMNA P02545 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
KAT2B Q92831 2/20 0.48
TDP1 Q9NUW8 1/20 0.47
HCAR3 P49019 1/20 0.47
PRSS1 P07477 1/20 0.47

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
SCHEMBL8107611 0.90 MAPT (0.60) MAPTPOLBPKMKDM4EALDH1A1
SCHEMBL8147273 0.87 MAPT (0.65) MAPTPOLBPKMKDM4EALDH1A1
SCHEMBL29375013 0.84 KAT2B (0.58) MAPTPOLBPKMKDM4EALDH1A1
SCHEMBL14063303 0.84 HCAR3 (0.65) MAPTPOLBPKMKDM4EALDH1A1
SCHEMBL563763 0.84 PKM (0.67) MAPTPOLBPKMKDM4EALDH1A1
SCHEMBL891444 0.84 MAPT (0.55) MAPTPOLBPKMKDM4EALDH1A1
SCHEMBL502704 0.84 KAT2B (0.58) MAPTPOLBPKMKDM4EALDH1A1
SCHEMBL9663877 0.83 MAPT (0.56) MAPTPOLBPKMKDM4EALDH1A1
SCHEMBL9051771 0.83 BCHE (0.57) MAPTPOLBPKMKDM4EALDH1A1
SCHEMBL9760558 0.83 HCAR3 (0.49) MAPTPOLBPKMALDH1A1KMT2A

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-6703007-B2 ACTIVATED POLYPEPTIDES; COSMETIC FOR HAIR, SKIN THE PROCTER & GAMBLE COMPANY 2004-03-09 US disclosed
US-20020041855-A1 TOPICAL COMPOSITIONS COMPRISING FUNCTIONAL NUCLEOPHILES PROTECTED BY PHOSPHORUS-CONTAINING MOIETIES THE PROCTER & GAMBLE COMPANY 2002-04-11 US disclosed
CN-1342065-A Topical compositions comprising functional nucleophiles protected by phosphorus-containing moieties PROCTER & GAMBLE (US) 2002-03-27 CN 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-20020041855-A1 TOPICAL COMPOSITIONS COMPRISING FUNCTIONAL NUCLEOPHILES PROTECTED BY PHOSPHORUS-CONTAINING MOIETIES PNISR, NUP205, POLR1C MAPT 2872/4885POLB 194/4885PKM 3609/4885

“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.