SCHEMBL3396859

SCHEMBL3396859

Cc1nc(-c2cccc(Cl)c2Cl)sc1C(=O)NCCCCN1CCCC1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 12/20 0.51
DRD3 P35462 10/20 0.47
DRD4 P21917 6/20 0.47
HTR1A P08908 3/20 0.47
ADRA1D P25100 3/20 0.47
ADRA1A P35348 3/20 0.47
ADRA1B P35368 3/20 0.47
HTR2A P28223 2/20 0.47
HTR2C P28335 2/20 0.47
DRD1 P21728 1/20 0.47
HTR2B P41595 1/20 0.47
SMYD2 Q9NRG4 2/20 0.45
KCNH2 Q12809 1/20 0.45
SLC6A4 P31645 1/20 0.45
GAA P10253 1/20 0.45

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
SCHEMBL3401250 0.93 PDE2A (0.47) DRD2DRD3DRD4HTR1AHTR2A
SCHEMBL3405595 0.92 PDE2A (0.47) DRD2DRD3DRD4HTR1AHTR2A
SCHEMBL3403787 0.92 SMYD2 (0.50) DRD2DRD3DRD4ADRA1DADRA1A
SCHEMBL3402982 0.89 SMYD2 (0.53) SMYD2GAA
SCHEMBL3402762 0.85 NPC1 (0.53) HTR2CSMYD2
SCHEMBL3402107 0.85 DRD2 (0.47) DRD2SMYD2GAA
SCHEMBL3403541 0.85 DPP4 (0.48) DRD2DRD3HTR2AHTR2CGAA
SCHEMBL3401416 0.84 NPC1 (0.53) HTR2CSMYD2
SCHEMBL3405436 0.84 CACNA1G (0.49)
SCHEMBL13071557 0.83 GAA (0.50) DRD2DRD3HTR1AHTR2AHTR2C

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 DRD2 1283/4885DRD3 1819/4885DRD4 2958/4885

“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.