SCHEMBL1666927

SCHEMBL1666927

CC(N)C(C(=O)O)c1ccccc1C#N

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.41
ALDH1A1 P00352 2/20 0.40
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP2D6 P10635 1/20 0.37
KDM4E B2RXH2 2/20 0.36
GAA P10253 2/20 0.36
TSHR P16473 2/20 0.36
LMNA P02545 2/20 0.36
KCNA5 P22460 1/20 0.35
ADRA2A P08913 1/20 0.34
ADRA2C P18825 1/20 0.34
HIF1A Q16665 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
SCHEMBL31561697 0.80 L3MBTL1 (0.45) L3MBTL1ALDH1A1MAPK1SMN1; SMN2KDM4E
SCHEMBL7050570 0.80 L3MBTL1 (0.45) L3MBTL1ALDH1A1MAPK1SMN1; SMN2KDM4E
SCHEMBL22011492 0.79 TSHR (0.46) L3MBTL1ALDH1A1MAPK1SMN1; SMN2CYP2D6
SCHEMBL26916320 0.79 TSHR (0.46) L3MBTL1ALDH1A1MAPK1SMN1; SMN2CYP2D6
Hydrochloric Acid SCHEMBL1670845 0.77 TSHR (0.45) L3MBTL1ALDH1A1MAPK1SMN1; SMN2CYP2D6
SCHEMBL1666944 0.76 ACP3 (0.42) ALDH1A1CYP2D6KDM4ELMNAADRA2A
SCHEMBL28459741 0.75 SRC (0.45) L3MBTL1ALDH1A1MAPK1SMN1; SMN2CYP2D6
SCHEMBL1667056 0.75 GAA (0.45) ALDH1A1SMN1; SMN2CYP2D6GAATSHR
SCHEMBL1667434 0.75 CYP2D6 (0.41) ALDH1A1CYP2D6KDM4EGAALMNA
SCHEMBL1669592 0.75 CYP1A2 (0.47) ALDH1A1CYP2D6LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011038469-A1 SUPPRESSIVE AGENTS PRINCE HENRY'S INSTITUTE OF MEDICAL RESEARCH (AU) 2011-04-07 WO disclosed
WO-2010088729-A1 COMPOSITIONS AND USES THEREFOR UNIVERSITY OF TASMANIA THROUGH THE MENZIES RESEARCH INSTITUTE (AU) 2010-08-12 WO disclosed
WO-2010022444-A1 METHODS AND AGENTS FOR MODULATING KINASE SIGNALLING PATHWAYS THROUGH MODULATION OF MIXED-LINEAGE KINASE DOMAIN-LIKE PROTEIN (MLKL) THE WALTER AND ELIZA HALL INSTITUTE OF MEDICAL RESEARCH (AU) 2010-03-04 WO disclosed
US-20090215669-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF DIABETES DIA-B TECH LIMITED (AU) 2009-08-27 US disclosed
WO-2009021289-A1 POTASSIUM CHANNEL INHIBITORS THE WALTER AND ELIZA HALL INSTITUTE OF MEDICAL RESEARCH (AU) 2009-02-19 WO disclosed
EP-1962882-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF DIABETES Dia-B Tech Limited (AU) 2008-09-03 EP disclosed
WO-2008025069-A1 METHODS OF MODULATING CELLULAR ACTIVITY AND COMPOSITIONS THEREFOR THE WALTER AND ELIZA HALL INSTITUTE OF MEDICAL RESEARCH (AU) 2008-03-06 WO disclosed
US-20070197430-A1 Conjugates And Therapeutic Uses Thereof THE WALTER AND ELIZA HALL INSTITUTE OF MEDICAL RESEARCH (AU) 2007-08-23 US disclosed
WO-2007059569-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF DIABETES DIA-B TECH LIMITED (AU) 2007-05-31 WO disclosed
EP-1781689-A1 CONJUGATES AND THERAPEUTIC USES THEREOF The Walter and Eliza Hall Institute of Medical Research (AU) 2007-05-09 EP disclosed
WO-2007025332-A1 A PEPTIDE AND ZINC ION COMPOSITION FOR TREATING DIABETES AND ENHANCING IMMUNE FUNCTION DIA-B TECH LIMITED (AU) 2007-03-08 WO disclosed
US-20070032417-A1 Peptides and therapeutic uses thereof WALTER AND ELIZA HALL INSTITUTE OF MEDICAL RESEARCH (AU) 2007-02-08 US disclosed
WO-2006000034-A1 CONJUGATES AND THERAPEUTIC USES THEREOF THE WALTER AND ELIZA HALL INSTITUTE OF MEDICAL RESEARCH (AU) 2006-01-05 WO disclosed
WO-2004058804-A1 PEPTIDES AND THERAPEUTIC USES THEREOF WALTER AND ELIZA HALL INSTITUTE OF MEDICAL RESEARCH (AU) 2004-07-15 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-20070032417-A1 Peptides and therapeutic uses thereof BCL2, BAX, BCL2L13 L3MBTL1 114/4885ALDH1A1 4834/4885MAPK1 3310/4885
US-20070197430-A1 Conjugates And Therapeutic Uses Thereof BCL2, BAX, BAD L3MBTL1 110/4885ALDH1A1 4519/4885MAPK1 3871/4885

“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.