SCHEMBL3569865

SCHEMBL3569865

CCOC(=O)/C(=C\N(C)C)C(=O)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.48
GAA P10253 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
MAPT P10636 3/20 0.46
RAB9A P51151 2/20 0.44
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
LMNA P02545 2/20 0.43
GLO1 Q04760 1/20 0.43
STAT3 P40763 1/20 0.43
CTSD P07339 1/20 0.43
CES2 O00748 1/20 0.42
ACHE P22303 1/20 0.42
CES1 P23141 1/20 0.42
NPSR1 Q6W5P4 2/20 0.42
GLA P06280 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL3569867 1.00 ALDH1A1 (0.48) ALDH1A1GAASMN1; SMN2MAPTRAB9A
SCHEMBL13417554 0.85 MAPT (0.58) ALDH1A1GAAMAPTKMT2AMEN1
SCHEMBL3187232 0.85 MAPT (0.58) ALDH1A1GAAMAPTKMT2AMEN1
SCHEMBL3187242 0.85 MAPT (0.58) ALDH1A1GAAMAPTKMT2AMEN1
SCHEMBL10865323 0.84 ALDH1A1 (0.48) ALDH1A1GAASMN1; SMN2MAPTRAB9A
SCHEMBL2707041 0.84 ALDH1A1 (0.56) ALDH1A1GAASMN1; SMN2MAPTRAB9A
SCHEMBL10861577 0.84 ALDH1A1 (0.49) ALDH1A1GAASMN1; SMN2MAPTRAB9A
SCHEMBL14853125 0.83 MAPT (0.45) ALDH1A1GAASMN1; SMN2MAPTKMT2A
SCHEMBL17491137 0.83 MAPT (0.45) ALDH1A1GAASMN1; SMN2MAPTKMT2A
SCHEMBL31238871 0.83 MAPT (0.45) ALDH1A1GAASMN1; SMN2MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7825278-B2 Substituted enaminones, their derivatives and uses thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-11-02 US disclosed
US-20080064748-A1 Substituted enaminones, their derivatives and uses thereof OXFORD FINANCE CORPORATION 2008-03-13 US disclosed
EP-1742904-A4 SUBSTITUTED ENAMINONES, THEIR DERIVATIVES AND USES THEREOF UNIV CALIFORNIA (US) 2007-04-18 EP disclosed
EP-1742904-A2 SUBSTITUTED ENAMINONES, THEIR DERIVATIVES AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-01-17 EP disclosed
WO-2005108347-A2 SUBSTITUTED ENAMINONES, THEIR DERIVATIVES AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2005-11-17 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-20080064748-A1 Substituted enaminones, their derivatives and uses thereof GABRB2, GABRB1, GABRB3 ALDH1A1 423/4885GAA 1377/4885SMN1; SMN2 809/4885

“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.