SCHEMBL4294800

SCHEMBL4294800

O=CNOC(=O)c1ccccc1ONC=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.36
KDM4E B2RXH2 6/20 0.36
HSD17B10 Q99714 4/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2C9 P11712 2/20 0.36
LMNA P02545 2/20 0.36
HPGD P15428 5/20 0.35
MAPT P10636 3/20 0.35
SLC6A4 P31645 1/20 0.35
KMT2A Q03164 3/20 0.35
HTT P42858 1/20 0.35
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
ALDH1A1 P00352 4/20 0.35
HSP90AA1 P07900 1/20 0.35
CYP2C19 P33261 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TSHR P16473 1/20 0.34
CTSD P07339 1/20 0.34

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
SCHEMBL21801771 0.85 CYP3A4 (0.42) L3MBTL1KDM4EHSD17B10LMNAHPGD
SCHEMBL4294796 0.82 KDM4E (0.53) KDM4EHSD17B10CYP1A2CYP2C9LMNA
SCHEMBL2731197 0.81 CTNNB1 (0.51) SLC6A3KDM4EHSD17B10LMNAHPGD
Ammonia Solution, Strong SCHEMBL28343733 0.81 KDM4E (0.51) KDM4EHSD17B10CYP1A2CYP2C9LMNA
SCHEMBL28350848 0.79 KDM4E (0.44) SLC6A3KDM4EHSD17B10HPGDMAPT
SCHEMBL27568172 0.79 LMNA (0.58) KDM4EHSD17B10LMNAHPGDMAPT
SCHEMBL28179037 0.79 ALDH1A1 (0.52) KDM4EHSD17B10CYP2C9HPGDKMT2A
SCHEMBL28636158 0.77 KMT2A (0.51) L3MBTL1KDM4ELMNAHPGDMAPT
SCHEMBL28033367 0.76 NR4A1 (0.52) L3MBTL1KDM4EHPGDMAPTKMT2A
SCHEMBL8628415 0.76 SGMS2 (0.56) KDM4EHSD17B10CYP2C9LMNAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090203770-A1 COMPOSITIONS AND METHODS FOR MODULATING APOPTOSIS IN CELLS OVER-EXPRESSING Bcl-2 FAMILY MEMBER PROTEINS FRED HUTCHISON CANCER RESEARCH CENTER (US) 2009-08-13 US disclosed
US-7241804-B1 Compositions and methods for modulating apoptosis in cells over-expressing Bcl-2 family member proteins FRED HUTCHINSON CANCER RESEARCH CENTER (US) 2007-07-10 US disclosed
US-20050239873-A1 2 Methoxy antimycin a derivatives and methods of use FRED HUTCHINSON CANCER RESEARCH CENTER (US) 2005-10-27 US disclosed
EP-1218368-A4 COMPOSITIONS AND METHODS FOR MODULATING APOPTOSIS IN CELLS OVER-EXPRESSING bcl-2 FAMILY MEMBER PROTEINS HUTCHINSON FRED CANCER RES (US) 2003-04-16 EP disclosed
EP-1218368-A1 COMPOSITIONS AND METHODS FOR MODULATING APOPTOSIS IN CELLS OVER-EXPRESSING bcl-2 FAMILY MEMBER PROTEINS Fred Hutchinson Cancer Research Center (US) 2002-07-03 EP disclosed
WO-2001014365-A1 COMPOSITIONS AND METHODS FOR MODULATING APOPTOSIS IN CELLS OVER-EXPRESSING bcl-2 FAMILY MEMBER PROTEINS FRED HUTCHINSON CANCER RESEARCH CENTER (US) 2001-03-01 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 (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-20090203770-A1 COMPOSITIONS AND METHODS FOR MODULATING APOPTOSIS IN CELLS OVER-EXPRESSING Bcl-2 FAMILY MEMBER PROTEINS BCL2, BAX, BCL2A1 SLC6A3 4630/4885L3MBTL1 902/4885KDM4E 4139/4885
US-20050239873-A1 2 Methoxy antimycin a derivatives and methods of use BCL2, BCL2L2, BCL2L1 SLC6A3 3966/4885L3MBTL1 295/4885KDM4E 3892/4885

“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.