SCHEMBL3399733

SCHEMBL3399733

Cc1nc(-c2cccc(OC(F)(F)F)c2)sc1C(=O)NCCN1CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLS O94925 1/20 0.48
PPARA Q07869 3/20 0.48
PPARD Q03181 1/20 0.48
CHRM4 P08173 3/20 0.46
ACP1 P24666 1/20 0.46
SCN9A Q15858 1/20 0.45
NPC1 O15118 1/20 0.44
HPGD P15428 1/20 0.44
MAPT P10636 2/20 0.42
CHRNB2 P17787 1/20 0.42
CHRNB4 P30926 1/20 0.42
CHRNA3 P32297 1/20 0.42
CHRNA4 P43681 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ALDH1A1 P00352 1/20 0.42
RAD52 P43351 1/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
HRH3 Q9Y5N1 1/20 0.41
ABL1 P00519 1/20 0.41

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
SCHEMBL3398475 0.99 PPARA (0.49) GLSPPARAPPARDCHRM4ACP1
SCHEMBL3404144 0.93 PPARA (0.47) GLSPPARAPPARDCHRM4ACP1
SCHEMBL3405464 0.89 PPARA (0.60) PPARAPPARDCHRM4SCN9ANPC1
SCHEMBL3405815 0.89 MAPT (0.52) NPC1HPGDMAPTRAD52LMNA
SCHEMBL3401424 0.88 PPARA (0.61) PPARAPPARDCHRM4SCN9ANPC1
SCHEMBL3429141 0.88 GLA (0.50) CHRM4SCN9ANPC1HPGDMAPT
SCHEMBL3405546 0.88 MKNK2 (0.46) CHRM4SCN9ANPC1HPGDMAPT
SCHEMBL3399919 0.86 HPGD (0.46) PPARACHRM4SCN9ANPC1HPGD
SCHEMBL3429158 0.86 GLA (0.51) CHRM4SCN9ANPC1HPGDMAPT
SCHEMBL3398440 0.86 ACKR3 (0.51) PPARAPPARDCHRM4NPC1HPGD

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 GLS 385/4885PPARA 492/4885PPARD 526/4885

“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.