SCHEMBL4058141

SCHEMBL4058141

Cc1nc2sc3ccccc3c2c(-c2ccccc2)c1C(=O)C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.43
HTT P42858 1/20 0.43
GAA P10253 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
SMN1; SMN2 Q16637 5/20 0.40
TACR1 P25103 2/20 0.39
EGLN1 Q9GZT9 1/20 0.38
LMNA P02545 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HDAC6 Q9UBN7 2/20 0.37
ALDH1A1 P00352 2/20 0.37
HDAC1 Q13547 1/20 0.37
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37
HPGD P15428 1/20 0.37
RAB9A P51151 1/20 0.37
FABP3 P05413 1/20 0.36
FABP4 P15090 1/20 0.36
PRNP P04156 1/20 0.36

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
SCHEMBL4057323 0.86 MAPT (0.44) MAPTHTTGAANPSR1SMN1; SMN2
SCHEMBL4056575 0.85 ALDH1A1 (0.49) MAPTHTTGAANPSR1SMN1; SMN2
SCHEMBL27709825 0.82 MAPT (0.48) MAPTHTTGAANPSR1SMN1; SMN2
SCHEMBL4061107 0.78 KMT2A (0.53) KMT2A
SCHEMBL2821858 0.77 MAPT (0.68) MAPTHTTGAANPSR1SMN1; SMN2
SCHEMBL4059374 0.77 MAPT (0.44) MAPTHTTGAANPSR1SMN1; SMN2
SCHEMBL4056705 0.77 FABP3 (0.46) MAPTGAANPSR1SMN1; SMN2TACR1
SCHEMBL27689855 0.75 KDM4E (0.41) MAPTHTTGAANPSR1SMN1; SMN2
SCHEMBL27709824 0.74 SMN1; SMN2 (0.43) MAPTHTTGAANPSR1SMN1; SMN2
SCHEMBL4056576 0.74 SMN1; SMN2 (0.40) MAPTHTTGAANPSR1SMN1; SMN2

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 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
US-7390903-B2 Thieno-pyridine derivatives as allosteric enhancers of the GABAB receptors HOFFMANN-LA ROCHE INC. (US) 2008-06-24 US disclosed
US-20060135552-A1 Thieno-pyridine derivatives as allosteric enhancers of the GABAB receptors HOFFMANN-LA ROCHE INC. 2006-06-22 US 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 1407/4885GAA 1934/4885

“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.