SCHEMBL2643860

SCHEMBL2643860

CCC(C(=O)Nc1sc2c(c1C#N)CCOC2)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCGR P47871 1/20 0.49
NPC1 O15118 3/20 0.47
ALDH1A1 P00352 3/20 0.47
RAB9A P51151 3/20 0.47
HPGD P15428 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
MAPK10 P53779 1/20 0.47
KDM4E B2RXH2 1/20 0.47
THRB P10828 1/20 0.47
CXCR2 P25025 2/20 0.45
HTT P42858 1/20 0.44
MAPT P10636 2/20 0.43
POLB P06746 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
SAE1 Q9UBE0 1/20 0.43
UBA2 Q9UBT2 1/20 0.43
KCNQ2 O43526 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
SCHEMBL2643514 0.87 ALDH1A1 (0.52) NPC1ALDH1A1RAB9AHPGDSMN1; SMN2
SCHEMBL2666066 0.85 KCNQ2 (0.47) ALDH1A1SMN1; SMN2KDM4ECXCR2MAPT
SCHEMBL618553 0.76 ALDH1A1 (0.59) NPC1ALDH1A1RAB9AHPGDSMN1; SMN2
SCHEMBL2657690 0.75 ALDH1A1 (0.64) NPC1ALDH1A1RAB9AHPGDSMN1; SMN2
SCHEMBL6250301 0.74 MEN1 (0.56) NPC1ALDH1A1RAB9AHPGDSMN1; SMN2
SCHEMBL2644452 0.73 ALDH1A1 (0.62) NPC1ALDH1A1RAB9AHPGDSMN1; SMN2
SCHEMBL2644337 0.72 ALDH1A1 (0.69) NPC1ALDH1A1RAB9AHPGDSMN1; SMN2
SCHEMBL2644794 0.71 MAPK10 (0.72) NPC1ALDH1A1RAB9AHPGDSMN1; SMN2
SCHEMBL19475100 0.71 MAPK10 (0.48) NPC1ALDH1A1RAB9AHPGDSMN1; SMN2
SCHEMBL2644228 0.71 ALDH1A1 (0.72) NPC1ALDH1A1RAB9AHPGDSMN1; SMN2

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 GCGR 2/4885NPC1 2160/4885ALDH1A1 1214/4885
US-20170143673-A1 Methods For Treating Heart Failure Using Glucagon Receptor Antagonists GLP1R, GCGR, GIPR GCGR 2/4885NPC1 3662/4885ALDH1A1 3069/4885

“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.