SCHEMBL3402589

SCHEMBL3402589

CCOC(=O)c1ccc(-c2nc(C)c(C(=O)NCCC3CCCN3C)s2)cc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 2/20 0.51
CHRM4 P08173 4/20 0.50
PPARA Q07869 4/20 0.45
CDC7 O00311 1/20 0.44
DBF4 Q9UBU7 1/20 0.44
JAK2 O60674 1/20 0.44
JAK1 P23458 1/20 0.44
NPC1 O15118 1/20 0.44
HPGD P15428 1/20 0.44
CHRNB2 P17787 3/20 0.43
CHRNA7 P36544 3/20 0.43
CHRNA4 P43681 3/20 0.43
CHRNA5 P30532 2/20 0.43
PPARD Q03181 2/20 0.42
BRAF P15056 1/20 0.42
TLR9 Q9NR96 1/20 0.42
TLR8 Q9NR97 1/20 0.42
TLR7 Q9NYK1 1/20 0.42
PPARG P37231 1/20 0.42

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
SCHEMBL3405398 0.90 ACKR3 (0.55) ACKR3CHRM4PPARANPC1HPGD
SCHEMBL3402424 0.90 ACKR3 (0.50) ACKR3CHRM4PPARAJAK2JAK1
SCHEMBL3399830 0.89 ACKR3 (0.54) ACKR3CHRM4PPARANPC1HPGD
SCHEMBL3405220 0.88 ACKR3 (0.52) ACKR3CHRM4PPARANPC1HPGD
SCHEMBL3401785 0.87 ACKR3 (0.54) ACKR3CHRM4PPARANPC1HPGD
SCHEMBL3405823 0.86 ACKR3 (0.53) ACKR3CHRM4PPARANPC1HPGD
SCHEMBL3403598 0.86 ACKR3 (0.53) ACKR3CHRM4PPARAPPARDPPARG
SCHEMBL3399982 0.86 PPARA (0.57) ACKR3CHRM4PPARANPC1PPARD
SCHEMBL3405442 0.85 ACKR3 (0.59) ACKR3CHRM4PPARANPC1HPGD
SCHEMBL13310379 0.85 ACKR3 (0.50) ACKR3CHRM4PPARANPC1HPGD

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 ACKR3 245/4885CHRM4 289/4885PPARA 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.