SCHEMBL3401404

SCHEMBL3401404

COc1ccc(-c2nc(C)c(C(=O)N3CCC(N4CCCCC4)CC3)s2)cc1OC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 2/20 0.51
THRB P10828 2/20 0.51
TLR9 Q9NR96 2/20 0.50
TLR8 Q9NR97 2/20 0.50
TLR7 Q9NYK1 2/20 0.50
HRH3 Q9Y5N1 4/20 0.48
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
HPGD P15428 1/20 0.48
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HTR2C P28335 1/20 0.45
CNR1 P21554 1/20 0.44
CFTR P13569 1/20 0.44
L3MBTL3 Q96JM7 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
LMNA P02545 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL3404347 1.00 THRA (0.51) THRATHRBTLR9TLR8TLR7
SCHEMBL3406014 0.93 THRA (0.50) THRATHRBTLR9TLR8TLR7
SCHEMBL3405828 0.93 THRA (0.50) THRATHRBTLR9TLR8TLR7
SCHEMBL3405541 0.92 THRA (0.49) THRATHRBTLR9TLR8TLR7
SCHEMBL3396967 0.92 THRA (0.49) THRATHRBTLR9TLR8TLR7
SCHEMBL3404849 0.91 TSHR (0.50) THRATHRBNPC1RAB9AHPGD
SCHEMBL3404772 0.91 THRA (0.47) THRATHRBTLR9TLR8TLR7
SCHEMBL3405188 0.89 HRH3 (0.46) THRATHRBHRH3RAB9AKDM4E
SCHEMBL3405192 0.89 THRA (0.51) THRATHRBHRH3KDM4EALDH1A1
SCHEMBL3401296 0.89 THRA (0.51) THRATHRBHRH3KDM4EALDH1A1

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 THRA 38/4885THRB 60/4885TLR9 433/4885

“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.