SCHEMBL13071990

SCHEMBL13071990

COc1ccc(-c2nc(C)c(C(=O)NCCCN3CCCCC3C)s2)c(O)c1OC

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.51
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
TSHR P16473 1/20 0.47
CYP2C19 P33261 1/20 0.47
RAB9A P51151 2/20 0.47
NPC1 O15118 1/20 0.47
THRB P10828 1/20 0.45
CACNA1G O43497 8/20 0.43
HRH3 Q9Y5N1 1/20 0.42
ACHE P22303 1/20 0.42
BACE1 P56817 1/20 0.42
SLC2A1 P11166 1/20 0.41
LMNA P02545 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
SCHEMBL3400138 0.94 HSD17B10 (0.53) HSD17B10CYP1A2CYP2D6CYP2C9TSHR
SCHEMBL3402499 0.87 CYP1A2 (0.53) HSD17B10CYP1A2CYP2D6CYP2C9TSHR
SCHEMBL3406018 0.86 HSD17B10 (0.49) HSD17B10CYP1A2CYP2D6CYP2C9TSHR
SCHEMBL3401951 0.86 HSD17B10 (0.49) HSD17B10CYP1A2CYP2D6CYP2C9TSHR
SCHEMBL13071564 0.85 DRD2 (0.47)
SCHEMBL3400825 0.85 CYP1A2 (0.54) HSD17B10CYP1A2CYP2D6CYP2C9TSHR
SCHEMBL3399723 0.84 HSD17B10 (0.51) HSD17B10CYP1A2CYP2D6CYP2C9TSHR
SCHEMBL3402383 0.84 HSD17B10 (0.51) HSD17B10CYP1A2CYP2D6CYP2C9TSHR
SCHEMBL13071989 0.82 CHRM4 (0.47)
SCHEMBL3400068 0.82 CYP1A2 (0.58) HSD17B10CYP1A2CYP2D6CYP2C9TSHR

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 2 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
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 HSD17B10 3129/4885CYP1A2 1326/4885CYP2D6 2046/4885

“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.