SCHEMBL2643440

SCHEMBL2643440

CCOC(=O)c1c(N)sc(N2CCN(c3ccccc3)CC2)c1C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.57
MAPT P10636 7/20 0.57
HPGD P15428 7/20 0.57
GAA P10253 4/20 0.57
GRM6 O15303 4/20 0.57
NPSR1 Q6W5P4 1/20 0.57
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
NFKB1 P19838 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52
TDP1 Q9NUW8 1/20 0.51
LMNA P02545 3/20 0.51
L3MBTL1 Q9Y468 1/20 0.50
TSHR P16473 1/20 0.49
MEN1 O00255 1/20 0.48
ADORA1 P30542 1/20 0.48
KMT2A Q03164 1/20 0.48
ALOX5 P09917 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL6246490 0.83 L3MBTL1 (0.67) ALDH1A1MAPTHPGDGAAGRM6
SCHEMBL2643956 0.79 ALDH1A1 (0.54) ALDH1A1MAPTHPGDGAANPSR1
SCHEMBL13837641 0.77 MAPT (0.65) ALDH1A1MAPTHPGDGAAGRM6
SCHEMBL4217459 0.73 GRM6 (1.00) ALDH1A1MAPTHPGDGAAGRM6
SCHEMBL18796961 0.72 MAPT (0.56) ALDH1A1MAPTHPGDGAAGRM6
SCHEMBL3102859 0.71 ALDH1A1 (0.78) ALDH1A1MAPTHPGDGAAGRM6
SCHEMBL18820700 0.71 MAPT (0.51) ALDH1A1MAPTHPGDGAAGRM6
SCHEMBL27610366 0.70 MAPT (0.74) ALDH1A1MAPTHPGDGAANPSR1
SCHEMBL4080036 0.70 GAA (0.97) ALDH1A1MAPTHPGDGAANPSR1
SCHEMBL10515051 0.70 MAPT (0.55) ALDH1A1MAPTGAANPSR1LMNA

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 2 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 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 ALDH1A1 2652/4885MAPT 3828/4885HPGD 1674/4885

“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.