SCHEMBL3404196

SCHEMBL3404196

Cc1nc(-c2cccc(C(F)(F)F)c2)sc1C(=O)NCCN1CCCC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
PPARA Q07869 4/20 0.56
CHRM4 P08173 2/20 0.54
MAPT P10636 3/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
NPC1 O15118 3/20 0.49
GAA P10253 1/20 0.49
CHRNB2 P17787 1/20 0.48
CHRNB4 P30926 1/20 0.48
CHRNA3 P32297 1/20 0.48
CHRNA4 P43681 1/20 0.48
ITGB3 P05106 1/20 0.47
ITGA2B P08514 1/20 0.47
PPARD Q03181 1/20 0.47
HPGD P15428 2/20 0.47
EPHX2 P34913 1/20 0.46
NR1H4 Q96RI1 1/20 0.46
RAB9A P51151 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
SCHEMBL3403850 0.94 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2PPARACHRM4MAPT
SCHEMBL3405249 0.90 CHRM4 (0.53) ALDH1A1SMN1; SMN2PPARACHRM4MEN1
SCHEMBL3403462 0.88 CHRM4 (0.65) ALDH1A1PPARACHRM4MAPTNPC1
SCHEMBL3398475 0.86 PPARA (0.49) ALDH1A1SMN1; SMN2PPARACHRM4MAPT
SCHEMBL3399733 0.85 GLS (0.48) ALDH1A1SMN1; SMN2PPARACHRM4MAPT
SCHEMBL13310232 0.85 CHRM4 (0.57) ALDH1A1SMN1; SMN2PPARACHRM4MAPT
SCHEMBL3405815 0.85 MAPT (0.52) MAPTNPC1HPGD
SCHEMBL3400541 0.85 HPGD (0.48) ALDH1A1SMN1; SMN2PPARACHRM4MAPT
SCHEMBL3403031 0.84 CHRM4 (0.51) ALDH1A1SMN1; SMN2PPARACHRM4NPC1
SCHEMBL3402472 0.84 HPGD (0.47) ALDH1A1SMN1; SMN2PPARACHRM4MAPT

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 ALDH1A1 916/4885SMN1; SMN2 1605/4885PPARA 492/4885

“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.