SCHEMBL4060445

SCHEMBL4060445

COC(=O)c1ccc(C(=O)c2c(N)sc3c2CCC3)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.65
ALDH1A1 P00352 8/20 0.64
MAPT P10636 8/20 0.64
HPGD P15428 5/20 0.64
GAA P10253 2/20 0.64
LMNA P02545 1/20 0.64
ADORA1 P30542 1/20 0.57
MEN1 O00255 5/20 0.54
KMT2A Q03164 5/20 0.54
KDM4E B2RXH2 5/20 0.54
RECQL P46063 1/20 0.54
HSD17B10 Q99714 5/20 0.52
ALOX15 P16050 4/20 0.52
MAPK1 P28482 1/20 0.52
TSHR P16473 1/20 0.51
CASP1 P29466 1/20 0.51
CASP7 P55210 1/20 0.51
THRB P10828 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
USP2 O75604 1/20 0.50

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
SCHEMBL3777713 0.97 TDP1 (0.69) TDP1ALDH1A1MAPTHPGDGAA
SCHEMBL4060747 0.96 TDP1 (0.67) TDP1ALDH1A1MAPTHPGDGAA
SCHEMBL134640 0.88 MEN1 (0.67) TDP1ALDH1A1MAPTHPGDGAA
SCHEMBL4060800 0.85 TDP1 (0.71) TDP1ALDH1A1MAPTHPGDGAA
SCHEMBL133029 0.85 TDP1 (0.70) TDP1ALDH1A1MAPTHPGDGAA
SCHEMBL2181401 0.84 ALDH1A1 (0.67) ALDH1A1MAPTHPGDGAALMNA
SCHEMBL134601 0.84 TDP1 (0.69) TDP1ALDH1A1MAPTHPGDGAA
SCHEMBL135449 0.82 TDP1 (0.71) TDP1ALDH1A1MAPTHPGDGAA
SCHEMBL4057532 0.82 TDP1 (0.70) TDP1ALDH1A1MAPTHPGDGAA
SCHEMBL138601 0.82 TDP1 (0.94) TDP1ALDH1A1MAPTHPGDGAA

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 5 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 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 TDP1 965/4885ALDH1A1 3097/4885MAPT 1326/4885

“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.