SCHEMBL4055666

SCHEMBL4055666

Cc1nc2sc3c(c2c(-c2cccs2)c1C(=O)C1CC1)CCC3

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.49
CASP1 P29466 2/20 0.49
CASP7 P55210 2/20 0.49
HPGD P15428 4/20 0.48
ALDH1A1 P00352 4/20 0.48
RAB9A P51151 3/20 0.48
MAPT P10636 2/20 0.48
TP53 P04637 2/20 0.48
HSD17B10 Q99714 2/20 0.48
KDM4E B2RXH2 2/20 0.48
HTT P42858 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
HCRTR1 O43613 1/20 0.48
LMNA P02545 1/20 0.48
TSHR P16473 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
NPC1 O15118 2/20 0.46
KMT2A Q03164 1/20 0.43
CNR1 P21554 1/20 0.42
GPR55 Q9Y2T6 1/20 0.42

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
SCHEMBL4059332 0.88 SMN1; SMN2 (0.53) SMN1; SMN2CASP1CASP7HPGDALDH1A1
SCHEMBL4055394 0.85 HPGD (0.53) SMN1; SMN2CASP1CASP7HPGDALDH1A1
SCHEMBL4057593 0.85 KMT2A (0.53) KMT2A
SCHEMBL4065925 0.84 SMN1; SMN2 (0.49) SMN1; SMN2CASP1CASP7HPGDALDH1A1
SCHEMBL4055923 0.82 SMN1; SMN2 (0.50) SMN1; SMN2CASP1CASP7HPGDALDH1A1
SCHEMBL4056213 0.81 ALDH1A1 (0.48) SMN1; SMN2HPGDALDH1A1RAB9AMAPT
SCHEMBL4055673 0.79 CDKN1A (0.52) ALDH1A1LMNAKMT2A
SCHEMBL3476753 0.79 KMT2A (0.67) SMN1; SMN2CASP1CASP7HPGDALDH1A1
SCHEMBL4065547 0.78 KMT2A (0.46) KMT2A
SCHEMBL134652 0.78

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
EP-1828199-A1 THIENO-PYRIDINE DERIVATIVES AS GABA-B ALLOSTERIC ENHANCERS F. Hoffmann-Roche AG (CH) 2007-09-05 EP claimed
US-20060135552-A1 Thieno-pyridine derivatives as allosteric enhancers of the GABAB receptors HOFFMANN-LA ROCHE INC. 2006-06-22 US claimed
WO-2006063732-A1 THIENO-PYRIDINE DERIVATIVES AS GABA-B ALLOSTERIC ENHANCERS F.HOFFMANN-LA ROCHE AG (CH) 2006-06-22 WO 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
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 SMN1; SMN2 219/4885CASP1 4007/4885CASP7 4428/4885

“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.