SCHEMBL4056576

SCHEMBL4056576

Cc1nc2sc3ccccc3c2c(-c2ccccc2)c1CC=O

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.40
EGLN1 Q9GZT9 2/20 0.39
ELANE P08246 1/20 0.39
RXFP1 Q9HBX9 1/20 0.36
KMT2A Q03164 1/20 0.36
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
MAPT P10636 3/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 2/20 0.35
GAA P10253 1/20 0.35
NPC1 O15118 2/20 0.34
TP53 P04637 1/20 0.34
NFKB1 P19838 1/20 0.34
MAPK1 P28482 1/20 0.34
RAB9A P51151 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34

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
SCHEMBL5318002 0.85 ALDH1A1 (0.46) SMN1; SMN2ELANERXFP1KMT2AKDM4E
SCHEMBL27709824 0.81 SMN1; SMN2 (0.43) SMN1; SMN2EGLN1ELANEKMT2AKDM4E
SCHEMBL3476309 0.78 KMT2A (0.61) SMN1; SMN2EGLN1KMT2AKDM4EGAA
SCHEMBL5316508 0.77 ALDH1A1 (0.48) SMN1; SMN2KMT2AKDM4EALDH1A1HPGD
SCHEMBL28661629 0.76 SMN1; SMN2 (0.65) SMN1; SMN2KMT2AKDM4EMAPTNPSR1
SCHEMBL4056575 0.75 ALDH1A1 (0.49) SMN1; SMN2RXFP1KMT2AKDM4EALDH1A1
SCHEMBL27709825 0.75 MAPT (0.48) SMN1; SMN2EGLN1ELANEKMT2AKDM4E
SCHEMBL15875874 0.74 KMT2A (0.47) SMN1; SMN2EGLN1KMT2AHTT
SCHEMBL4058141 0.74 MAPT (0.43) SMN1; SMN2EGLN1ELANERXFP1KMT2A
SCHEMBL99124 0.73 KMT2A (0.48) SMN1; SMN2EGLN1KMT2AKDM4EALDH1A1

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-A1 THIENO-PYRIDINE DERIVATIVES AS GABA-B ALLOSTERIC ENHANCERS F. Hoffmann-Roche AG (CH) 2007-09-05 EP 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 219/4885EGLN1 4786/4885ELANE 4564/4885

“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.