SCHEMBL4055708

SCHEMBL4055708

CC(=O)c1c(C)nc2sc3c(c2c1-c1ccco1)CCC3

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.52
KDM4E B2RXH2 4/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
MAPT P10636 4/20 0.52
HTT P42858 4/20 0.52
L3MBTL1 Q9Y468 3/20 0.52
CASP3 P42574 1/20 0.52
SENP7 Q9BQF6 1/20 0.52
SENP6 Q9GZR1 1/20 0.52
HPGD P15428 3/20 0.51
KMT2A Q03164 3/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
TSHR P16473 3/20 0.49
MAPK1 P28482 3/20 0.47
LMNA P02545 3/20 0.47
HSD17B10 Q99714 2/20 0.47
ALOX15 P16050 1/20 0.47
USP2 O75604 1/20 0.47
PTK2B Q14289 1/20 0.47

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
SCHEMBL4056881 0.88 ALDH1A1 (0.48) ALDH1A1KDM4ESMN1; SMN2MAPTHTT
SCHEMBL4056213 0.88 ALDH1A1 (0.48) ALDH1A1KDM4ESMN1; SMN2MAPTHTT
SCHEMBL3474300 0.82 KMT2A (0.66) ALDH1A1KDM4ESMN1; SMN2MAPTHTT
SCHEMBL4055917 0.82 KMT2A (0.56) KMT2A
SCHEMBL135296 0.82
SCHEMBL99885 0.80 KMT2A (0.52) ALDH1A1KDM4ESMN1; SMN2MAPTHTT
SCHEMBL4059332 0.80 SMN1; SMN2 (0.53) ALDH1A1KDM4ESMN1; SMN2MAPTHTT
SCHEMBL16108427 0.79 KMT2A (0.52) ALDH1A1KDM4ESMN1; SMN2MAPTHTT
SCHEMBL5319449 0.79 ALDH1A1 (0.50) ALDH1A1KDM4ESMN1; SMN2MAPTHTT
SCHEMBL99814 0.79

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1828199-B1 THIENO-PYRIDINE DERIVATIVES AS GABA-B ALLOSTERIC ENHANCERS HOFFMANN LA ROCHE (CH) 2009-05-06 EP claimed
US-7390903-B2 Thieno-pyridine derivatives as allosteric enhancers of the GABAB receptors HOFFMANN-LA ROCHE INC. (US) 2008-06-24 US claimed
US-20060135552-A1 Thieno-pyridine derivatives as allosteric enhancers of the GABAB receptors HOFFMANN-LA ROCHE INC. 2006-06-22 US claimed
EP-1828199-B1 THIENO-PYRIDINE DERIVATIVES AS GABA-B ALLOSTERIC ENHANCERS HOFFMANN LA ROCHE (CH) 2009-05-06 EP disclosed
US-7390903-B2 Thieno-pyridine derivatives as allosteric enhancers of the GABAB receptors HOFFMANN-LA ROCHE INC. (US) 2008-06-24 US disclosed
EP-1828199-A1 THIENO-PYRIDINE DERIVATIVES AS GABA-B ALLOSTERIC ENHANCERS F. Hoffmann-Roche AG (CH) 2007-09-05 EP disclosed
US-20060135552-A1 Thieno-pyridine derivatives as allosteric enhancers of the GABAB receptors HOFFMANN-LA ROCHE INC. 2006-06-22 US disclosed
WO-2006063732-A1 THIENO-PYRIDINE DERIVATIVES AS GABA-B ALLOSTERIC ENHANCERS F.HOFFMANN-LA ROCHE AG (CH) 2006-06-22 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-20060135552-A1 Thieno-pyridine derivatives as allosteric enhancers of the GABAB receptors GABBR1, CHRNA5, CHRNA3 ALDH1A1 3097/4885KDM4E 1637/4885SMN1; SMN2 219/4885

“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.