SCHEMBL4041285

SCHEMBL4041285

O=C(OCc1ccccc1)ON1C(=O)C=CC1=O

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
TDP1 Q9NUW8 2/20 0.47
MAPK1 P28482 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A3 Q01959 1/20 0.47
KMT2A Q03164 1/20 0.47
P2RX4 Q99571 1/20 0.45
LMNA P02545 2/20 0.44
HCAR2 Q8TDS4 1/20 0.44
CDC25B P30305 1/20 0.43
CTRB1 P17538 1/20 0.42
MMP1 P03956 1/20 0.42
MMP2 P08253 1/20 0.42
MMP9 P14780 1/20 0.42
MMP12 P39900 1/20 0.42
GSK3A P49840 1/20 0.42
GSK3B P49841 1/20 0.42
MGLL Q99685 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
SCHEMBL11323517 0.82 ALDH1A1 (0.47) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL142445 0.82 ALDH1A1 (0.47) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL8897656 0.82 CTRB1 (0.51) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL1279658 0.81 ALDH1A1 (0.46) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
Carbamic Acid SCHEMBL28871401 0.78 CYP2C19 (0.44) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL37382 0.78 ALDH1A1 (0.68) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL4478397 0.77 ALDH1A1 (0.42) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL31729909 0.77 KMT2A (0.48) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL6363978 0.76 CCNE1 (0.42) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL9942943 0.76 ALDH1A1 (0.41) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1307427-B3 PROCESS FOR THE CYANATION OF ALDEHYDES KING S COLLEGE LONDON (GB) 2009-04-29 EP disclosed
US-7314844-B2 Process for the cyanation aldehydes KING'S COLLEGE LONDON (GB) 2008-01-01 US disclosed
WO-2007093764-A1 PROCESS FOR THE CYANATION OF IMINES NPIL PHARMACEUTICALS (UK) LIMITED (GB) 2007-08-23 WO disclosed
EP-1307427-B1 PROCESS FOR THE CYANATION OF ALDEHYDES KING S COLLEGE LONDON (GB) 2006-04-12 EP disclosed
US-20050192454-A1 Process for the cyanation aldehydes NESMEYANOV INSTITUTE OF ORGANOELEMENT COMPOUNDS AND KING'S COLLEGE LONDON 2005-09-01 US disclosed
US-6897332-B2 Process for the cyanation of aldehydes NESMEYANOV INSTITUTE OF ORGANOELEMENT COMPOUNDS (RU) 2005-05-24 US disclosed
EP-1511565-A2 CATALYST AND PROCESS FOR THE CYANATION OF ALDEHYDES KING'S COLLEGE LONDON (GB) 2005-03-09 EP disclosed
WO-2003099435-A2 CATALYST AND PROCESS FOR THE CYANATION OF ALDEHYDES KING'S COLLEGE LONDON (GB) 2003-12-04 WO disclosed
US-20030199706-A1 Process for the cyanation of aldehydes NESMEY ANOV INSTITUTE OF ORGANOELEMENT COMPOUNDS 2003-10-23 US disclosed
EP-1307427-A2 PROCESS FOR THE CYANATION OF ALDEHYDES King's College London (GB) 2003-05-07 EP disclosed
WO-2002010095-A2 PROCESS FOR THE CYANATION OF ALDEHYDES KING'S COLLEGE LONDON, AN INSTITUTION INCORPORATED BY ROYAL CHARTER (GB) 2002-02-07 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-20030199706-A1 Process for the cyanation of aldehydes CPN1, CRBN, NCL ALDH1A1 459/4885TDP1 2059/4885MAPK1 3772/4885
US-20050192454-A1 Process for the cyanation aldehydes CA4, CA9, CA12 ALDH1A1 328/4885TDP1 3105/4885MAPK1 3300/4885

“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.