SCHEMBL3399330

SCHEMBL3399330

CCOC(=O)c1ccc(-c2nc(C)c(C(=O)NCCCCN3CCCC3)s2)cc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.51
HRH3 Q9Y5N1 1/20 0.51
CDC7 O00311 1/20 0.46
DBF4 Q9UBU7 1/20 0.46
NPC1 O15118 1/20 0.46
HPGD P15428 1/20 0.46
CHRM4 P08173 3/20 0.45
MAPT P10636 3/20 0.44
THRB P10828 1/20 0.44
RARA P10276 1/20 0.43
RARB P10826 1/20 0.43
RARG P13631 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
GAA P10253 1/20 0.42
PHF13 Q86YI8 1/20 0.42
L3MBTL3 Q96JM7 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL3402374 0.89 SMYD2 (0.49) HRH3NPC1HPGDGAA
SCHEMBL3404930 0.89 CHRM4 (0.48) NPC1HPGDCHRM4MAPTTHRB
SCHEMBL3404897 0.86 ACHE (0.54) CHRM4MAPTTHRBGAA
SCHEMBL3398627 0.85 CHRM4 (0.60) HRH3NPC1HPGDCHRM4MAPT
SCHEMBL3403571 0.84 PPARA (0.58) NPC1CHRM4GAA
SCHEMBL3401121 0.84 AGER (0.47) KCNH2HRH3NPC1HPGDCHRM4
SCHEMBL3399687 0.84 CHRM4 (0.52) HRH3NPC1HPGDCHRM4MAPT
SCHEMBL3405022 0.84 PPARA (0.52) NPC1HPGDCHRM4MAPTSMN1; SMN2
SCHEMBL3400105 0.83 HRH3 (0.53) HRH3NPC1HPGDCHRM4GAA
SCHEMBL3399440 0.83 CHRM4 (0.62) HRH3NPC1CHRM4MAPTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100297035-A1 Thiazole Amides, Imidazole Amides and Related Analogues LIGAND PHARMACEUTICALS, INC. (US) 2010-11-25 US disclosed
US-7728009-B1 Thiazole amides, imidazole amides and related analogues NEUROGEN CORPORATION (US) 2010-06-01 US disclosed
US-7728009-B1 Thiazole amides, imidazole amides and related analogues NEUROGEN CORPORATION (US) 2010-06-01 US disclosed
US-7728009-B1 Thiazole amides, imidazole amides and related analogues NEUROGEN CORPORATION (US) 2010-06-01 US disclosed
WO-2006089076-A9 THIAZOLE AMIDES, IMIDAZOLE AMIDES AND RELATED ANALOGUES NEUROGEN CORP (US) 2007-04-26 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-20100297035-A1 Thiazole Amides, Imidazole Amides and Related Analogues HRH3, HRH4, HRH2 KCNH2 1799/4885HRH3 1/4885CDC7 3356/4885

“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.