SCHEMBL2642810

SCHEMBL2642810

CCC(CC)C(=O)Nc1sc(-c2nc(-c3ccncc3)no2)c(C)c1C#N

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCGR P47871 4/20 0.67
MAPT P10636 6/20 0.46
ALDH1A1 P00352 5/20 0.46
HPGD P15428 3/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
HTT P42858 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
ADORA1 P30542 2/20 0.43
ADORA2A P29274 1/20 0.43
LMNA P02545 5/20 0.39
POLB P06746 2/20 0.39
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39
TP53 P04637 3/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
KDM4E B2RXH2 2/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 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 0.92 GCGR (0.68) GCGRMAPTALDH1A1HPGDMEN1
SCHEMBL2643378 0.89 GCGR (0.63) GCGRMAPTALDH1A1HPGDMEN1
SCHEMBL2643027 0.86 GCGR (0.58) GCGRMAPTALDH1A1HPGDMEN1
SCHEMBL2643029 0.85 GCGR (0.64) GCGRMAPTALDH1A1HPGDMEN1
SCHEMBL2643102 0.81 GCGR (0.71) GCGRMAPTALDH1A1HPGDMEN1
SCHEMBL2642890 0.80 GCGR (1.00) GCGRMAPTALDH1A1HPGDMEN1
SCHEMBL2643510 0.80 GCGR (0.73) GCGRMAPTALDH1A1HPGDMEN1
SCHEMBL2643392 0.78 GCGR (0.75) GCGRMAPTALDH1A1HPGDMEN1
SCHEMBL2642823 0.78 GCGR (0.71) GCGRMAPTALDH1A1HPGDMEN1
SCHEMBL2643002 0.76 GCGR (1.00) GCGRMAPTALDH1A1HPGDMEN1

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 3/4885MAPT 3828/4885ALDH1A1 2652/4885

“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.