SCHEMBL2655161

SCHEMBL2655161

Cc1c(CCCCl)sc(N)c1C#N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.43
HSD17B10 Q99714 4/20 0.43
MAPK1 P28482 3/20 0.43
TSHR P16473 1/20 0.43
GRM6 O15303 1/20 0.41
ADORA2A P29274 1/20 0.40
MEN1 O00255 3/20 0.35
MAPT P10636 3/20 0.35
KMT2A Q03164 3/20 0.35
HPGD P15428 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
IKBKB O14920 1/20 0.33
CISD2 Q8N5K1 1/20 0.32
BPTF Q12830 2/20 0.31
GAA P10253 3/20 0.31
KDM4E B2RXH2 2/20 0.31
ALOX15 P16050 2/20 0.31
CASP1 P29466 1/20 0.31
CASP7 P55210 1/20 0.31

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
SCHEMBL23827445 0.77 GRM6 (0.52) ALDH1A1HSD17B10MAPK1TSHRGRM6
SCHEMBL23827459 0.77 GRM6 (0.52) ALDH1A1HSD17B10MAPK1TSHRGRM6
SCHEMBL1621985 0.77 ALDH1A1 (0.49) ALDH1A1HSD17B10MAPK1TSHRGRM6
SCHEMBL23827463 0.76 GRM6 (0.51) ALDH1A1HSD17B10MAPK1TSHRGRM6
SCHEMBL1622057 0.75 ADORA2A (0.48) ALDH1A1HSD17B10MAPK1TSHRGRM6
SCHEMBL23827453 0.73 GRM6 (0.55) ALDH1A1HSD17B10MAPK1TSHRGRM6
SCHEMBL23827448 0.71 SIGMAR1 (0.45) ALDH1A1HSD17B10MAPK1TSHRGRM6
SCHEMBL23827437 0.71 GRM6 (0.43) ALDH1A1HSD17B10MAPK1TSHRGRM6
SCHEMBL641581 0.68 GRM6 (0.52) ALDH1A1HSD17B10MAPK1TSHRGRM6
SCHEMBL23827462 0.67 GRM6 (0.45) ALDH1A1GRM6ADORA2AMEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1807411-A1 CYANOTHIOPHENES, THE PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS Boehringer Ingelheim International GmbH (DE) 2007-07-18 EP disclosed
US-20060094764-A1 Cyanothiophenes, their preparation and their use in pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-05-04 US disclosed
WO-2006042850-A1 CYANOTHIOPHENES, THE PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-04-27 WO 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-20060094764-A1 Cyanothiophenes, their preparation and their use in pharmaceutical compositions GLRB, GPR6, GRM3 ALDH1A1 3592/4885HSD17B10 1078/4885MAPK1 4252/4885

“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.