SCHEMBL6308751

SCHEMBL6308751

CCC(CC)C(=O)Nc1sc2c(c1C#N)CCC(N(Cc1ccc(Cl)cc1)Cc1cc3ccccc3o1)C2

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GCGR P47871 7/20 0.62
TP53 P04637 1/20 0.44
ALDH1A1 P00352 5/20 0.39
MAPT P10636 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
SAE1 Q9UBE0 1/20 0.39
UBA2 Q9UBT2 1/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KDM4E B2RXH2 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ALOX15 P16050 1/20 0.37
MAPK1 P28482 1/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL4039273 0.91 GCGR (0.72) GCGRTP53ALDH1A1MAPTNPSR1
SCHEMBL6310568 0.85 GCGR (0.68) GCGRTP53ALDH1A1MAPTNPSR1
SCHEMBL6308725 0.83 GCGR (0.68) GCGRTP53ALDH1A1MAPTNPSR1
SCHEMBL6309455 0.83 GCGR (0.68) GCGRTP53ALDH1A1MAPTNPSR1
SCHEMBL6316704 0.83 GCGR (0.71) GCGRTP53ALDH1A1MAPTMEN1
SCHEMBL6309887 0.82 GCGR (0.66) GCGRTP53ALDH1A1MAPTNPSR1
SCHEMBL6308789 0.82 GCGR (0.65) GCGRTP53ALDH1A1MAPTNPSR1
SCHEMBL4039696 0.80 GCGR (0.77) GCGRTP53ALDH1A1MAPTMEN1
SCHEMBL4041838 0.80 GCGR (0.74) GCGRTP53ALDH1A1MAPTMEN1
SCHEMBL4039821 0.79 GCGR (0.75) GCGRTP53ALDH1A1MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050239865-A1 Substituted bicyclic thiophene derivatives, compositions containing such compounds and methods of use MERCK SHARP & DOHME CORP. 2005-10-27 US claimed

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-20050239865-A1 Substituted bicyclic thiophene derivatives, compositions containing such compounds and methods of use GLP1R, GCGR, GPR119 GCGR 2/4885TP53 3716/4885ALDH1A1 4206/4885

“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.