SCHEMBL3401528

SCHEMBL3401528

CCN(C)CCN(CC)C(=O)c1sc(-c2ccc(OC(F)(F)F)cc2)nc1C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 13/20 0.52
PPARD Q03181 5/20 0.51
PPARG P37231 4/20 0.43
NPC1 O15118 2/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
CDC7 O00311 1/20 0.42
DBF4 Q9UBU7 1/20 0.42
TARBP2 Q15633 1/20 0.41
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
HSP90AA1 P07900 1/20 0.41
CRHBP P24387 1/20 0.41
KMT2A Q03164 1/20 0.41
CRHR2 Q13324 1/20 0.41
TP53 P04637 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL3404830 0.89 ALDH1A1 (0.44) PPARAPPARDNPC1ALDH1A1MAPT
SCHEMBL3404918 0.88 MAPT (0.50) PPARANPC1ALDH1A1GAACDC7
SCHEMBL3402280 0.86 CDC7 (0.44) PPARANPC1ALDH1A1GAACDC7
SCHEMBL13071478 0.85 CDC7 (0.44) PPARANPC1ALDH1A1GAACDC7
SCHEMBL3398655 0.85 TRPM8 (0.47) PPARANPC1ALDH1A1GAACDC7
SCHEMBL3401729 0.85 RAB9A (0.54) PPARANPC1ALDH1A1GAACDC7
SCHEMBL3403795 0.85 NPC1 (0.47) PPARANPC1ALDH1A1GAATARBP2
SCHEMBL3404948 0.83 SMN1; SMN2 (0.56) NPC1ALDH1A1GAAMAPTKDM4E
SCHEMBL3404118 0.83 PPARA (0.57) PPARAPPARDPPARGNPC1ALDH1A1
SCHEMBL3400511 0.82 NPC1 (0.43) PPARANPC1ALDH1A1GAACDC7

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 PPARA 492/4885PPARD 526/4885PPARG 454/4885

“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.