SCHEMBL5739307

SCHEMBL5739307

CCC1CCc2c(sc3cc(-c4ccc(CN5CCOCC5)s4)ccc3c2=O)C1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.40
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.40
ABL1 P00519 1/20 0.37
SRC P12931 1/20 0.36
IKBKE Q14164 9/20 0.34
TBK1 Q9UHD2 9/20 0.34
ALDH1A1 P00352 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM5B Q9UGL1 1/20 0.33
SIRT2 Q8IXJ6 1/20 0.32
JAK2 O60674 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
ATM Q13315 1/20 0.32

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
SCHEMBL5741060 0.88 NPC1 (0.45) KDM4ETSHRHTTSIRT2JAK2
SCHEMBL5740604 0.81 PRF1 (0.36) KDM4ETSHRHTTALDH1A1MEN1
SCHEMBL5742394 0.78 PGR (0.38) KDM4EHTTALDH1A1MEN1KMT2A
SCHEMBL5740727 0.77 KIF11 (0.40) KDM4EHTTALDH1A1MEN1KMT2A
SCHEMBL5739488 0.76 MAPT (0.38) KDM4ETSHRHTTALDH1A1MEN1
SCHEMBL5738978 0.76 TNIK (0.41) KDM4EHTTALDH1A1MEN1KMT2A
SCHEMBL5740325 0.76 ALDH1A1 (0.35) KDM4EABL1ALDH1A1MEN1KMT2A
SCHEMBL5741212 0.75 TNIK (0.37) KDM4ETSHRHTTALDH1A1MEN1
SCHEMBL5741298 0.75 BRD4 (0.39) KDM4EHTTALDH1A1MEN1KMT2A
SCHEMBL5740793 0.74 KDM4E (0.38) KDM4ETSHRHTTABL1ALDH1A1

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
EP-1406891-B1 THIOCHROMENONES USED TO COMBAT PAINFUL CONDITIONS AND NEURODEGENERATIVE DISEASES BAYER HEALTHCARE AG (DE) 2006-03-22 EP disclosed
US-20050009820-A1 Thiochromenones used to combat painful conditions and neurodegenerative diseases BAYER HEALTHCARE AG (DE) 2005-01-13 US disclosed
EP-1463501-A1 CIS-IMIDAZOLINES AS MDM2 INHIBITORS F. Hoffmann-La Roche AG (CH) 2004-10-06 EP disclosed
EP-1406891-A1 THIOCHROMENONES USED TO COMBAT PAINFUL CONDITIONS AND NEURODEGENERATIVE DISEASES Bayer HealthCare AG (DE) 2004-04-14 EP disclosed
WO-2003053955-A1 THIOCHROMENONES USED TO COMBAT PAINFUL CONDITIONS AND NEURODEGENERATIVE DISEASES BAYER HEALTHCARE AG (DE) 2003-07-03 WO disclosed
WO-2003051360-A1 CIS-IMIDAZOLINES AS MDM2 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2003-06-26 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 (1 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-20050009820-A1 Thiochromenones used to combat painful conditions and neurodegenerative diseases HTT, HMOX1, SNCA KDM4E 2960/4885TSHR 2778/4885HTT 1/4885

“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.