SCHEMBL2643510

SCHEMBL2643510

CCC(CC)C(=O)Nc1sc(-c2nc(Cc3ccccc3)no2)c(C)c1C#N

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCGR P47871 5/20 0.73
BCHE P06276 1/20 0.47
ACHE P22303 1/20 0.47
MAOB P27338 1/20 0.47
ADORA2A P29274 1/20 0.44
ADORA1 P30542 1/20 0.44
ALDH1A1 P00352 6/20 0.40
NPC1 O15118 2/20 0.40
MAPK1 P28482 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
MAPT P10636 3/20 0.39
HPGD P15428 2/20 0.39
HSD17B10 Q99714 2/20 0.39
USP2 O75604 2/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL2643627 0.86 GCGR (0.68) GCGRBCHEACHEADORA2AADORA1
SCHEMBL2642823 0.85 GCGR (0.71) GCGRBCHEACHEMAOBADORA2A
SCHEMBL2642890 0.84 GCGR (1.00) GCGRADORA2AADORA1ALDH1A1NPC1
SCHEMBL2643002 0.83 GCGR (1.00) GCGRADORA2AADORA1ALDH1A1NPC1
SCHEMBL2644279 0.83 GCGR (0.75) GCGRADORA2AADORA1ALDH1A1NPC1
SCHEMBL2643247 0.82 GCGR (0.85) GCGRADORA2AADORA1ALDH1A1NPC1
SCHEMBL2643392 0.82 GCGR (0.75) GCGRALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL2643029 0.81 GCGR (0.64) GCGRADORA2AADORA1ALDH1A1NPC1
SCHEMBL2643093 0.81 GCGR (0.71) GCGRADORA2AADORA1ALDH1A1NPC1
SCHEMBL2643759 0.81 GCGR (0.71) GCGRADORA2AADORA1ALDH1A1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7196106-B2 Cyanothiophene derivatives, compositions containing such compounds and methods of use MERCK & CO., INC (US) 2007-03-27 US claimed
US-20040097552-A1 Cyanothiophene derivatives, compositions containing such compounds and methods of use MERCK SHARP & DOHME CORP. 2004-05-20 US claimed
US-7196106-B2 Cyanothiophene derivatives, compositions containing such compounds and methods of use MERCK & CO., INC (US) 2007-03-27 US disclosed
US-7196106-B2 Cyanothiophene derivatives, compositions containing such compounds and methods of use MERCK & CO., INC (US) 2007-03-27 US disclosed
US-7196106-B2 Cyanothiophene derivatives, compositions containing such compounds and methods of use MERCK & CO., INC (US) 2007-03-27 US disclosed
US-20040097552-A1 Cyanothiophene derivatives, compositions containing such compounds and methods of use MERCK SHARP & DOHME CORP. 2004-05-20 US disclosed
US-20040097552-A1 Cyanothiophene derivatives, compositions containing such compounds and methods of use MERCK SHARP & DOHME CORP. 2004-05-20 US disclosed
US-20040097552-A1 Cyanothiophene derivatives, compositions containing such compounds and methods of use MERCK SHARP & DOHME CORP. 2004-05-20 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-20040097552-A1 Cyanothiophene derivatives, compositions containing such compounds and methods of use GLP1R, GPR119, GCGR GCGR 3/4885BCHE 1036/4885ACHE 3332/4885

“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.