SCHEMBL4057174

SCHEMBL4057174

Nc1sc(-c2ccccc2)cc1C(=O)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 1.00
GAA P10253 4/20 0.73
ALDH1A1 P00352 4/20 0.73
HPGD P15428 3/20 0.73
MEN1 O00255 3/20 0.73
KMT2A Q03164 3/20 0.73
IKBKB O14920 1/20 0.71
TUBB4A P04350 4/20 0.67
TUBB P07437 4/20 0.67
TUBA3C P0DPH7 4/20 0.67
TUBA1B P68363 4/20 0.67
TUBA4A P68366 4/20 0.67
TUBB4B P68371 4/20 0.67
TUBB3 Q13509 4/20 0.67
TUBB2A Q13885 4/20 0.67
TUBB8 Q3ZCM7 4/20 0.67
TUBA3E Q6PEY2 4/20 0.67
TUBA1A Q71U36 4/20 0.67
TUBA1C Q9BQE3 4/20 0.67
TUBB6 Q9BUF5 4/20 0.67

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
SCHEMBL3768095 0.90 ADORA1 (0.81) ADORA1GAAALDH1A1HPGDMEN1
SCHEMBL1062225 0.84 GAA (1.00) ADORA1GAAALDH1A1HPGDMEN1
SCHEMBL3510525 0.83 IKBKB (1.00) ADORA1GAAALDH1A1HPGDMEN1
SCHEMBL15960089 0.81 GAA (0.75) ADORA1GAAALDH1A1HPGDMEN1
SCHEMBL7057166 0.81 GAA (0.75) ADORA1GAAALDH1A1HPGDMEN1
Formamide SCHEMBL28359882 0.79 GAA (0.87) ADORA1GAAALDH1A1HPGDMEN1
SCHEMBL8288757 0.78 MAPT (0.76) ADORA1GAAALDH1A1HPGDMEN1
SCHEMBL4061364 0.78 ADORA1 (0.64) ADORA1GAAALDH1A1HPGDMEN1
SCHEMBL1563613 0.78 GAA (1.00) ADORA1GAAALDH1A1HPGDMEN1
SCHEMBL7058046 0.76 GAA (0.73) ADORA1GAAALDH1A1HPGDMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101120003-B Thieno-pyridine derivatives as GABA-B allosteric enhancers HOFFMANN LA ROCHE 2010-06-16 CN disclosed
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
CN-101120003-A Thieno-pyridine derivatives as GABA-B allosteric enhancers HOFFMANN LA ROCHE (CH) 2008-02-06 CN 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 ADORA1 127/4885GAA 1934/4885ALDH1A1 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.