SCHEMBL3399440

SCHEMBL3399440

Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)NCCCCN1CCCC1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 2/20 0.62
NPC1 O15118 1/20 0.61
ALDH1A1 P00352 1/20 0.61
GAA P10253 1/20 0.61
PPARD Q03181 3/20 0.57
PPARA Q07869 10/20 0.55
PPARG P37231 4/20 0.53
CHRNB2 P17787 1/20 0.49
CHRNB4 P30926 1/20 0.49
CHRNA3 P32297 1/20 0.49
CHRNA4 P43681 1/20 0.49
MAPT P10636 1/20 0.49
HRH3 Q9Y5N1 1/20 0.49
NR1H4 Q96RI1 1/20 0.48
DRD3 P35462 1/20 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
SCHEMBL3403462 0.93 CHRM4 (0.65) CHRM4NPC1ALDH1A1GAAPPARD
SCHEMBL3405022 0.91 PPARA (0.52) CHRM4NPC1ALDH1A1GAAPPARD
SCHEMBL3403031 0.90 CHRM4 (0.51) CHRM4NPC1ALDH1A1GAAPPARD
SCHEMBL3403850 0.89 ALDH1A1 (0.57) CHRM4NPC1ALDH1A1GAAPPARD
SCHEMBL3403571 0.88 PPARA (0.58) CHRM4NPC1ALDH1A1GAAPPARD
SCHEMBL3398627 0.87 CHRM4 (0.60) CHRM4NPC1ALDH1A1GAAPPARD
SCHEMBL3404930 0.86 CHRM4 (0.48) CHRM4NPC1ALDH1A1GAAMAPT
SCHEMBL3405948 0.86 CHRM4 (0.49) CHRM4NPC1ALDH1A1GAAPPARD
SCHEMBL3405412 0.86 CHRM4 (0.49) CHRM4NPC1ALDH1A1GAAPPARD
SCHEMBL3404897 0.85 ACHE (0.54) CHRM4ALDH1A1GAAPPARDPPARA

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.