SCHEMBL4055394

SCHEMBL4055394

CC(=O)c1c(C)nc2sc3c(c2c1-c1cccs1)CCCC3

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.53
ALDH1A1 P00352 5/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
RAB9A P51151 3/20 0.53
TDP1 Q9NUW8 3/20 0.53
MAPT P10636 2/20 0.53
TP53 P04637 2/20 0.53
HSD17B10 Q99714 2/20 0.53
CASP1 P29466 2/20 0.53
CASP7 P55210 2/20 0.53
HTT P42858 2/20 0.53
KDM4E B2RXH2 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
LMNA P02545 2/20 0.53
HCRTR1 O43613 1/20 0.53
TSHR P16473 1/20 0.53
NPC1 O15118 2/20 0.52
KMT2A Q03164 1/20 0.48
CNR1 P21554 1/20 0.46
GPR55 Q9Y2T6 1/20 0.46

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 0.98 SMN1; SMN2 (0.53) HPGDALDH1A1SMN1; SMN2RAB9ATDP1
SCHEMBL4055923 0.88 SMN1; SMN2 (0.50) HPGDALDH1A1SMN1; SMN2RAB9ATDP1
SCHEMBL4055666 0.85 SMN1; SMN2 (0.49) HPGDALDH1A1SMN1; SMN2RAB9ATDP1
SCHEMBL4065925 0.85 SMN1; SMN2 (0.49) HPGDALDH1A1SMN1; SMN2RAB9ATDP1
SCHEMBL132616 0.82 KMT2A (0.70) HPGDALDH1A1SMN1; SMN2RAB9ATDP1
SCHEMBL4055917 0.81 KMT2A (0.56) KMT2A
SCHEMBL3476753 0.80 KMT2A (0.67) HPGDALDH1A1SMN1; SMN2RAB9ATDP1
SCHEMBL134652 0.79
SCHEMBL5379060 0.79 SMN1; SMN2 (0.52) HPGDALDH1A1SMN1; SMN2RAB9ATDP1
SCHEMBL99721 0.78 KMT2A (0.53) HPGDALDH1A1SMN1; SMN2RAB9ATDP1

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 6 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
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 HPGD 4427/4885ALDH1A1 3097/4885SMN1; SMN2 219/4885

“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.