SCHEMBL4409939

SCHEMBL4409939

O=C(O)c1ccc2c(c1)CCCS2(=O)=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.56
KDM4E B2RXH2 3/20 0.47
MAPT P10636 3/20 0.47
SRD5A2 P31213 5/20 0.42
SRD5A1 P18405 4/20 0.42
KDM1A O60341 1/20 0.41
LMNA P02545 1/20 0.40
CYP2C9 P11712 1/20 0.40
TDP1 Q9NUW8 2/20 0.39
POLB P06746 2/20 0.39
BLM P54132 1/20 0.39
GRM1 Q13255 1/20 0.39
MEN1 O00255 1/20 0.39
MAPK1 P28482 1/20 0.39
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 1/20 0.39
PDK1 Q15118 1/20 0.37
PDK2 Q15119 1/20 0.37
PDK3 Q15120 1/20 0.37
PDK4 Q16654 1/20 0.37

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
SCHEMBL8110972 0.90 ALDH1A1 (0.50) ALDH1A1KDM4EMAPTSRD5A2SRD5A1
SCHEMBL30058901 0.87 ALDH1A1 (0.56) ALDH1A1KDM4EMAPTSRD5A2SRD5A1
SCHEMBL23705003 0.87 ALDH1A1 (0.56) ALDH1A1KDM4EMAPTSRD5A2SRD5A1
SCHEMBL8241636 0.85 LMNA (0.39) ALDH1A1KDM4EMAPTLMNACYP2C9
SCHEMBL23704889 0.82 ALDH1A1 (0.54) ALDH1A1KDM4EMAPTSRD5A2SRD5A1
SCHEMBL8950117 0.79 RARG (0.49) ALDH1A1KDM4ELMNATDP1POLB
SCHEMBL8776476 0.79 RARG (0.49) ALDH1A1KDM4ELMNATDP1POLB
SCHEMBL7815408 0.77 CA12 (0.44) ALDH1A1KDM4EMAPTSRD5A2SRD5A1
SCHEMBL15486875 0.75 CA1 (0.41) ALDH1A1KDM4EKDM1AMEN1KMT2A
SCHEMBL6737923 0.75 NPC1 (0.49) MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4294790-A1 SMARCA DEGRADERS AND USES THEREOF Kymera Therapeutics, Inc. (US) 2023-12-27 EP disclosed
EP-2133340-B1 Novel benzazepine derivatives GLAXO GROUP LTD (GB) 2013-01-16 EP disclosed
EP-2133340-A1 Novel benzazepine derivatives Glaxo Group Limited (GB) 2009-12-16 EP disclosed
US-20090131431-A1 Pyrazolo[3,4-b]pyridine compounds, and their use as a PDE4 inhibitors GLAXO GROUP LIMITED (GB) 2009-05-21 US disclosed
US-20090131431-A1 Pyrazolo[3,4-b]pyridine compounds, and their use as a PDE4 inhibitors GLAXO GROUP LIMITED (GB) 2009-05-21 US disclosed
US-20080275027-A1 Piperazinone Derivatives Useful as Histamine H3 Receptor Antagonists and/or Inverse Agonists GLAXO GROUP LIMITED (GB) 2008-11-06 US disclosed
US-20080275027-A1 Piperazinone Derivatives Useful as Histamine H3 Receptor Antagonists and/or Inverse Agonists GLAXO GROUP LIMITED (GB) 2008-11-06 US disclosed
US-20080275027-A1 Piperazinone Derivatives Useful as Histamine H3 Receptor Antagonists and/or Inverse Agonists GLAXO GROUP LIMITED (GB) 2008-11-06 US disclosed
EP-1906964-A1 PIPERAZINONE DERIVATIVES USEFUL AS HISTAMINE H3 RECEPTOR ANTAGONISTS AND/OR INVERSE AGONISTS GLAXO GROUP LIMITED (GB) 2008-04-09 EP disclosed
WO-2007009741-A1 PIPERAZINONE DERIVATIVES USEFUL AS HISTAMINE H3 RECEPTOR ANTAGONISTS AND/OR INVERSE AGONISTS GLAXO GROUP LIMITED (GB) 2007-01-25 WO disclosed
WO-2007009741-A1 PIPERAZINONE DERIVATIVES USEFUL AS HISTAMINE H3 RECEPTOR ANTAGONISTS AND/OR INVERSE AGONISTS GLAXO GROUP LIMITED (GB) 2007-01-25 WO disclosed
CN-1726042-A Benzo[d]azepine derivatives for the treatment of neurological disorders GLAXO GROUP LTD (GB) 2006-01-25 CN 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-20080275027-A1 Piperazinone Derivatives Useful as Histamine H3 Receptor Antagonists and/or Inverse Agonists HRH3, HRH1, HRH4 ALDH1A1 1586/4885KDM4E 1238/4885MAPT 2812/4885
US-20090131431-A1 Pyrazolo[3,4-b]pyridine compounds, and their use as a PDE4 inhibitors PDE4B, PDE3B, PDE4A ALDH1A1 1603/4885KDM4E 829/4885MAPT 4764/4885

“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.