SCHEMBL885125

SCHEMBL885125

CC(=O)NCCCOC(C)C

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.62
SMN1; SMN2 Q16637 2/20 0.58
HTT P42858 1/20 0.58
KDM4E B2RXH2 2/20 0.54
MAPK1 P28482 1/20 0.54
HIF1A Q16665 1/20 0.54
L3MBTL1 Q9Y468 2/20 0.53
TSHR P16473 2/20 0.53
LMNA P02545 2/20 0.50
GAA P10253 1/20 0.50
KMT2A Q03164 1/20 0.50
TP53 P04637 1/20 0.46
PKM P14618 1/20 0.46
HSD17B10 Q99714 1/20 0.46
PAOX Q6QHF9 2/20 0.45

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
SCHEMBL23175608 0.94 KDM4E (0.58) ALDH1A1SMN1; SMN2HTTKDM4EMAPK1
SCHEMBL5981227 0.87 EPHX2 (0.47) ALDH1A1SMN1; SMN2HTTKDM4EMAPK1
SCHEMBL8710833 0.83 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2HTTKDM4EL3MBTL1
SCHEMBL19821894 0.82 MAPK1 (0.48) ALDH1A1SMN1; SMN2HTTKDM4EMAPK1
SCHEMBL19808633 0.82 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2HTTKDM4EL3MBTL1
SCHEMBL2303769 0.82 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2HTTKDM4EL3MBTL1
SCHEMBL12543513 0.82 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2HTTKDM4EMAPK1
SCHEMBL1197607 0.81 ALDH1A1 (0.65) ALDH1A1SMN1; SMN2HTTKDM4EL3MBTL1
SCHEMBL16020554 0.80 MAPK1 (0.50) ALDH1A1SMN1; SMN2HTTKDM4EMAPK1
SCHEMBL23841879 0.80 MEN1 (0.53) ALDH1A1SMN1; SMN2HTTKDM4EMAPK1

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 60 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150291623-A1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2015-10-15 US claimed
US-20120295897-A1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USES AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2012-11-22 US claimed
US-8148537-B2 Substituted acetophenones useful as PDE4 inhibitors LEO PHARMA A/S (DK) 2012-04-03 US claimed
EP-2350090-A2 SPIRO-OXINDOLE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS Xenon Pharmaceuticals Inc. (CA) 2011-08-03 EP claimed
EP-2125736-B1 SUBSTITUTED ACETOPHENONES USEFUL AS PDE4 INHIBITORS LEO PHARMA AS (DK) 2011-03-30 EP claimed
US-20100137299-A1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2010-06-03 US claimed
WO-2010045251-A2 SPIRO-OXINDOLE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS, INC. (CA) 2010-04-22 WO claimed
US-20100035908-A1 SUBSTITUTED ACETOPHENONES USEFUL AS PDE4 INHIBITORS LEO PHARMA (DK) 2010-02-11 US claimed
EP-2125736-A1 SUBSTITUTED ACETOPHENONES USEFUL AS PDE4 INHIBITORS Leo Pharma A/S (DK) 2009-12-02 EP claimed
WO-2008077404-A1 SUBSTITUTED ACETOPHENONES USEFUL AS PDE4 INHIBITORS LEO PHARMA A/S (DK) 2008-07-03 WO claimed
WO-2023152642-A1 OPHTHALMIC COMPOSITIONS AND METHODS THEREOF AVACA PHARMA PRIVATE LIMITED (IN) 2023-08-17 WO disclosed
US-11008302-B2 Substituted pyridine and pyrimidines and their use as GluN2B receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2021-05-18 US disclosed
US-20210094950-A1 KINASE INHIBITOR COMPOUNDS AND COMPOSITIONS AND METHODS OF USE NATIONAL INSTITUTES OF HEALTH 2021-04-01 US disclosed
WO-2020132582-A1 STING AGONISTS AND USES THEREOF NIMBUS TITAN, INC. (US) 2020-06-25 WO disclosed
US-20190308950-A1 SUBSTITUTED PYRIDINE AND PYRIMIDINES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2019-10-10 US disclosed
WO-2008077404-A1 SUBSTITUTED ACETOPHENONES USEFUL AS PDE4 INHIBITORS LEO PHARMA A/S (DK) 2008-07-03 WO disclosed
US-7300503-B2 Dye mixture and ink containing the same, inkjet recording method and image forming method FUJIFILM CORPORATION (JP) 2007-11-27 US disclosed
US-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma PHARMACIA CORPORATION 2007-04-05 US disclosed
US-20070032487-A1 Inhibitors of phosphatidylinositol 3-kinase NOVARTIS AG (CH) 2007-02-08 US disclosed
US-20070032487-A1 Inhibitors of phosphatidylinositol 3-kinase NOVARTIS AG (CH) 2007-02-08 US 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 (9 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-20190308950-A1 SUBSTITUTED PYRIDINE AND PYRIMIDINES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS GRIN2B, GRIN2A, GRIN3B ALDH1A1 2145/4885SMN1; SMN2 697/4885HTT 543/4885
US-20070032487-A1 Inhibitors of phosphatidylinositol 3-kinase PIK3CA, PIP4K2C, PIP4K2B ALDH1A1 4104/4885SMN1; SMN2 2425/4885HTT 4542/4885
US-20100035908-A1 SUBSTITUTED ACETOPHENONES USEFUL AS PDE4 INHIBITORS PDE4A, PDE4B, PDE3B ALDH1A1 457/4885SMN1; SMN2 2462/4885HTT 3018/4885
US-20150291623-A1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS TRPV3, TRPV1, TRPC3 ALDH1A1 1020/4885SMN1; SMN2 289/4885HTT 241/4885
US-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma MAPK1, MAPK3, MAPK4 ALDH1A1 1079/4885SMN1; SMN2 2049/4885HTT 4445/4885
US-20210094950-A1 KINASE INHIBITOR COMPOUNDS AND COMPOSITIONS AND METHODS OF USE CSNK1A1, CSNK1E, CSNK1G3 ALDH1A1 4302/4885SMN1; SMN2 553/4885HTT 2541/4885
US-20120295897-A1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USES AS THERAPEUTIC AGENTS TRPV3, TRPC3, TRPV1 ALDH1A1 1005/4885SMN1; SMN2 272/4885HTT 249/4885
US-11008302-B2 Substituted pyridine and pyrimidines and their use as GluN2B receptor modulators GRIN2B, GRIN2A, GRIN3B ALDH1A1 2074/4885SMN1; SMN2 663/4885HTT 537/4885
US-20100137299-A1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS TRPV3, TRPV1, TRPC3 ALDH1A1 1020/4885SMN1; SMN2 289/4885HTT 241/4885

“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.