SCHEMBL3401802

SCHEMBL3401802

Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)NCCCN1CCCCC1C

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 2/20 0.59
NPC1 O15118 2/20 0.55
ALDH1A1 P00352 1/20 0.55
GAA P10253 1/20 0.55
PPARD Q03181 3/20 0.52
PPARA Q07869 10/20 0.51
HRH3 Q9Y5N1 1/20 0.50
PPARG P37231 4/20 0.49
SLC2A1 P11166 1/20 0.48
RAB9A P51151 2/20 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
SCHEMBL3405042 0.91 CHRM4 (0.49) CHRM4NPC1ALDH1A1GAAHRH3
SCHEMBL3405620 0.87 CHRM4 (0.47) CHRM4NPC1SLC2A1RAB9A
SCHEMBL13071657 0.87 CHRM4 (0.53) CHRM4NPC1ALDH1A1GAAHRH3
SCHEMBL3400068 0.87 CYP1A2 (0.58) CHRM4NPC1PPARDPPARAHRH3
SCHEMBL3404992 0.85 HRH3 (0.55) CHRM4NPC1ALDH1A1HRH3SLC2A1
SCHEMBL3401247 0.85 PPARD (0.48) CHRM4NPC1ALDH1A1PPARDPPARA
SCHEMBL3399951 0.84 RAB9A (0.50) CHRM4NPC1PPARAHRH3SLC2A1
SCHEMBL3404512 0.84 HRH3 (0.62) CHRM4NPC1HRH3SLC2A1RAB9A
SCHEMBL3405286 0.84 SLC2A1 (0.50) CHRM4NPC1HRH3SLC2A1RAB9A
SCHEMBL3401829 0.84 SLC2A1 (0.50) CHRM4NPC1GAAPPARAHRH3

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 CHRM4 289/4885NPC1 2005/4885ALDH1A1 916/4885

“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.