SCHEMBL4055676

SCHEMBL4055676

Nc1sc2c(c1C(=O)c1ccccc1)CCOC2

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.66
MAPT P10636 4/20 0.66
LMNA P02545 3/20 0.66
GAA P10253 1/20 0.66
HPGD P15428 1/20 0.66
RAB7A P51149 1/20 0.52
TDP1 Q9NUW8 1/20 0.49
ADORA1 P30542 1/20 0.46
PTPRC P08575 1/20 0.45
PTPN2 P17706 1/20 0.45
PTPN1 P18031 1/20 0.45
PTPRB P23467 1/20 0.45
PTPRE P23469 1/20 0.45
NPC1 O15118 1/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ANO1 Q5XXA6 1/20 0.43
CFTR P13569 1/20 0.43

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
SCHEMBL135906 0.86 TDP1 (0.50) ALDH1A1MAPTLMNAGAAHPGD
SCHEMBL3500340 0.82 PTPRC (0.58) ALDH1A1MAPTLMNAGAAHPGD
SCHEMBL4083980 0.82 ANO1 (0.53) ALDH1A1MAPTRAB7AADORA1PTPRC
SCHEMBL1637546 0.80 ALDH1A1 (1.00) ALDH1A1MAPTLMNAGAAHPGD
SCHEMBL136108 0.80 MAPT (0.94) ALDH1A1MAPTLMNAGAAHPGD
SCHEMBL3452996 0.79 ALDH1A1 (0.60) ALDH1A1MAPTLMNAGAAHPGD
SCHEMBL5851585 0.78 ALDH1A1 (0.97) ALDH1A1MAPTLMNAGAAHPGD
SCHEMBL15199361 0.78 PTPRC (0.47) ALDH1A1MAPTGAAHPGDADORA1
SCHEMBL5676779 0.76 ALDH1A1 (0.68) ALDH1A1MAPTLMNAGAAHPGD
SCHEMBL5512688 0.75 ALDH1A1 (0.66) ALDH1A1MAPTLMNAGAAHPGD

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 3 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 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 ALDH1A1 3097/4885MAPT 1326/4885LMNA 4221/4885

“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.