SCHEMBL3402603

SCHEMBL3402603

COc1ccc(-c2nc(C)c(C(=O)NCCC3CCCN3C)s2)cc1OC

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 2/20 0.53
TLR8 Q9NR97 2/20 0.53
TLR7 Q9NYK1 2/20 0.53
MAPT P10636 9/20 0.49
CHRM4 P08173 4/20 0.49
LMNA P02545 3/20 0.49
ACKR3 P25106 1/20 0.49
TP53 P04637 4/20 0.48
THRB P10828 1/20 0.47
UHRF1 Q96T88 1/20 0.44
PPARD Q03181 1/20 0.44
PPARA Q07869 1/20 0.44
RXFP1 Q9HBX9 1/20 0.43

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
SCHEMBL3400749 0.94 CHRM4 (0.49) TLR9TLR8TLR7MAPTCHRM4
SCHEMBL3403904 0.92 CHRM4 (0.47) TLR9TLR8TLR7MAPTCHRM4
SCHEMBL3403412 0.89 CHRM4 (0.49) TLR9TLR8TLR7MAPTCHRM4
SCHEMBL3401785 0.89 ACKR3 (0.54) MAPTCHRM4LMNAACKR3TP53
SCHEMBL3400075 0.88 ACKR3 (0.54) MAPTCHRM4LMNAACKR3TP53
SCHEMBL3403598 0.88 ACKR3 (0.53) MAPTCHRM4LMNAACKR3TP53
SCHEMBL3405145 0.87 CHRM4 (0.52) CHRM4ACKR3PPARDPPARA
SCHEMBL3402641 0.87 CHRM4 (0.49) TLR9TLR8TLR7CHRM4ACKR3
SCHEMBL3402461 0.85 CHRM4 (0.55) CHRM4ACKR3PPARDPPARA
SCHEMBL13309884 0.85 CHRM4 (0.51) MAPTCHRM4ACKR3TP53PPARD

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 TLR9 433/4885TLR8 462/4885TLR7 253/4885

“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.