SCHEMBL4501944

SCHEMBL4501944

Cc1nn(C)c([NH])c1[N+](=O)[O-]

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PKM P14618 3/20 0.61
LMNA P02545 2/20 0.47
MAPT P10636 4/20 0.43
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CHEK1 O14757 1/20 0.42
DAPK3 O43293 1/20 0.42
GRK5 P34947 1/20 0.42
LIMK1 P53667 1/20 0.42
CYP1A2 P05177 1/20 0.40
POLB P06746 2/20 0.37
BLM P54132 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
CYP2C9 P11712 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL2386652 0.79 PKM (0.66) PKMLMNAMAPTALDH1A1KDM4E
SCHEMBL4501948 0.76 PKM (1.00) PKMLMNAMAPTALDH1A1KDM4E
SCHEMBL38665911 0.76 PKM (0.61) PKMLMNAMAPTALDH1A1KDM4E
SCHEMBL13626328 0.76 PKM (0.61) PKMLMNAMAPTALDH1A1KDM4E
SCHEMBL1730 0.76 PKM (0.61) PKMLMNAMAPTALDH1A1KDM4E
SCHEMBL2386649 0.76 PKM (0.61) PKMLMNAMAPTALDH1A1KDM4E
SCHEMBL14019038 0.73 PKM (0.58) PKMLMNAMAPTALDH1A1KDM4E
SCHEMBL14108166 0.73 PKM (0.58) PKMLMNAMAPTALDH1A1KDM4E
SCHEMBL1609142 0.72 MAPT (0.61) PKMLMNAMAPTALDH1A1CYP1A2
SCHEMBL3373070 0.72 PKM (0.61) PKMLMNAMAPTALDH1A1KDM4E

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090270367-A1 SUBSTITUTED HYDROXYETHYLAMINE ASPARTYL PROTEASE INHIBITORS ELAN PHARMACEUTICALS, INC. 2009-10-29 US claimed
EP-1730125-A2 SUBSTITUTED HYDROXYETHYLAMINE ASPARTYL PROTEASE INHIBITORS ELAN PHARMACEUTICALS, INC. (US) 2006-12-13 EP claimed
US-20050239836-A1 Substituted hydroxyethylamine aspartyl protease inhibitors ELAN PHARMACEUTICALS, INC. 2005-10-27 US claimed
WO-2005087751-A2 SUBSTITUTED HYDROXYETHYLAMINE ASPARTYL PROTEASE INHIBITORS ELAN PHARMACEUTICALS, INC. (US) 2005-09-22 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20090270367-A1 SUBSTITUTED HYDROXYETHYLAMINE ASPARTYL PROTEASE INHIBITORS DNPEP, MME, ANPEP PKM 1999/4885LMNA 1166/4885MAPT 249/4885
US-20050239836-A1 Substituted hydroxyethylamine aspartyl protease inhibitors DNPEP, MME, ANPEP PKM 1999/4885LMNA 1166/4885MAPT 249/4885

“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.