SCHEMBL4057323

SCHEMBL4057323

Cc1nc2sc(C)c(C)c2c(-c2ccccc2)c1C(=O)C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.44
HTT P42858 1/20 0.44
ALDH1A1 P00352 4/20 0.44
SMN1; SMN2 Q16637 4/20 0.41
KDM4E B2RXH2 2/20 0.41
HPGD P15428 2/20 0.41
GAA P10253 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
ADORA3 P0DMS8 3/20 0.40
ADORA2A P29274 2/20 0.40
LMNA P02545 2/20 0.40
ADORA1 P30542 1/20 0.40
RXFP1 Q9HBX9 1/20 0.39
HDAC6 Q9UBN7 2/20 0.39
HDAC1 Q13547 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
ABCB1 P08183 1/20 0.38
MAOB P27338 1/20 0.38

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
SCHEMBL4058141 0.86 MAPT (0.43) MAPTHTTALDH1A1SMN1; SMN2KDM4E
SCHEMBL4055022 0.85 ALDH1A1 (0.48) MAPTHTTALDH1A1SMN1; SMN2KDM4E
SCHEMBL5343442 0.81 ALDH1A1 (0.44) MAPTHTTALDH1A1SMN1; SMN2KDM4E
SCHEMBL4061107 0.80 KMT2A (0.53)
SCHEMBL2821858 0.77 MAPT (0.68) MAPTHTTALDH1A1SMN1; SMN2KDM4E
SCHEMBL4059374 0.77 MAPT (0.44) MAPTHTTALDH1A1SMN1; SMN2KDM4E
SCHEMBL4056705 0.76 FABP3 (0.46) MAPTALDH1A1SMN1; SMN2KDM4EHPGD
SCHEMBL5318002 0.72 ALDH1A1 (0.46) HTTALDH1A1SMN1; SMN2KDM4EHPGD
SCHEMBL2821849 0.71 GAA (0.46) MAPTALDH1A1SMN1; SMN2KDM4EHPGD
SCHEMBL4056575 0.70 ALDH1A1 (0.49) MAPTHTTALDH1A1SMN1; SMN2KDM4E

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 MAPT 1326/4885HTT 1407/4885ALDH1A1 3097/4885

“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.