SCHEMBL2644337

SCHEMBL2644337

CC(C(=O)Nc1sc2c(c1C#N)CCC2)c1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.69
MEN1 O00255 6/20 0.69
KMT2A Q03164 6/20 0.69
RAB9A P51151 4/20 0.69
HPGD P15428 4/20 0.69
NPC1 O15118 3/20 0.69
SMN1; SMN2 Q16637 3/20 0.69
MAPK10 P53779 3/20 0.66
KDM4E B2RXH2 2/20 0.65
THRB P10828 1/20 0.65
HTT P42858 2/20 0.62
NPSR1 Q6W5P4 1/20 0.60
POLB P06746 4/20 0.59
MAPT P10636 3/20 0.59
GAA P10253 3/20 0.59
L3MBTL1 Q9Y468 3/20 0.57
LMNA P02545 2/20 0.57
ALOX15 P16050 2/20 0.57
HSD17B10 Q99714 2/20 0.57
RECQL P46063 1/20 0.57

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
SCHEMBL2644228 0.88 ALDH1A1 (0.72) ALDH1A1MEN1KMT2ARAB9AHPGD
SCHEMBL2644794 0.86 MAPK10 (0.72) ALDH1A1MEN1KMT2ARAB9AHPGD
SCHEMBL2644452 0.85 ALDH1A1 (0.62) ALDH1A1MEN1KMT2ARAB9AHPGD
SCHEMBL4693720 0.85 ALDH1A1 (0.73) ALDH1A1MEN1KMT2ARAB9AHPGD
SCHEMBL2657690 0.83 ALDH1A1 (0.64) ALDH1A1MEN1KMT2ARAB9AHPGD
SCHEMBL2643661 0.83 ALDH1A1 (0.64) ALDH1A1MEN1KMT2ARAB9AHPGD
SCHEMBL15281388 0.82 RAB9A (1.00) ALDH1A1MEN1KMT2ARAB9AHPGD
SCHEMBL3285611 0.80 MAPK10 (1.00) ALDH1A1MEN1KMT2ARAB9AHPGD
SCHEMBL14580981 0.79 ALDH1A1 (1.00) ALDH1A1MEN1KMT2ARAB9AHPGD
SCHEMBL2644838 0.78 MEN1 (0.55) ALDH1A1MEN1KMT2ARAB9AHPGD

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1620425-B1 SUBSTITUTED 3-CYANOTHIOPHENE ACETAMIDES AS GLUCAGON RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2008-12-24 EP claimed
US-7138529-B2 Substituted 3-cyanothiophene acetamides as glucagon receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2006-11-21 US claimed
EP-1620425-A1 SUBSTITUTED 3-CYANOTHIOPHENE ACETAMIDES AS GLUCAGON RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2006-02-01 EP claimed
WO-2004092156-A1 SUBSTITUTED 3-CYANOTHIOPHENE ACETAMIDES AS GLUCAGON RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2004-10-28 WO claimed
US-20040209943-A1 Novel substituted 3-cyanothiophene acetamides as glucagon receptor antagonists ERICKSON SHAWN DAVID (US) 2004-10-21 US claimed
US-20170143673-A1 Methods For Treating Heart Failure Using Glucagon Receptor Antagonists REMD Biotherapeutics, Inc 2017-05-25 US disclosed
EP-1620425-B1 SUBSTITUTED 3-CYANOTHIOPHENE ACETAMIDES AS GLUCAGON RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2008-12-24 EP disclosed
US-7138529-B2 Substituted 3-cyanothiophene acetamides as glucagon receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2006-11-21 US disclosed
US-7138529-B2 Substituted 3-cyanothiophene acetamides as glucagon receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2006-11-21 US disclosed
US-7138529-B2 Substituted 3-cyanothiophene acetamides as glucagon receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2006-11-21 US disclosed
EP-1620425-A1 SUBSTITUTED 3-CYANOTHIOPHENE ACETAMIDES AS GLUCAGON RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2006-02-01 EP disclosed
WO-2004092156-A1 SUBSTITUTED 3-CYANOTHIOPHENE ACETAMIDES AS GLUCAGON RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2004-10-28 WO disclosed
US-20040209943-A1 Novel substituted 3-cyanothiophene acetamides as glucagon receptor antagonists ERICKSON SHAWN DAVID (US) 2004-10-21 US disclosed
US-20040209943-A1 Novel substituted 3-cyanothiophene acetamides as glucagon receptor antagonists ERICKSON SHAWN DAVID (US) 2004-10-21 US disclosed
US-20040209943-A1 Novel substituted 3-cyanothiophene acetamides as glucagon receptor antagonists ERICKSON SHAWN DAVID (US) 2004-10-21 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 (2 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-20040209943-A1 Novel substituted 3-cyanothiophene acetamides as glucagon receptor antagonists GLP1R, GCGR, GPR119 ALDH1A1 1214/4885MEN1 1036/4885KMT2A 3567/4885
US-20170143673-A1 Methods For Treating Heart Failure Using Glucagon Receptor Antagonists GLP1R, GCGR, GIPR ALDH1A1 3069/4885MEN1 4200/4885KMT2A 2219/4885

“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.