SCHEMBL3404060

SCHEMBL3404060

COc1ccc(C(C)C)cc1-c1nc(C)c(C(=O)N2CCC(N3CCCCCC3)CC2)s1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.46
LMNA P02545 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
L3MBTL3 Q96JM7 6/20 0.40
L3MBTL1 Q9Y468 5/20 0.40
HRH3 Q9Y5N1 2/20 0.40
TLR9 Q9NR96 1/20 0.40
TLR8 Q9NR97 1/20 0.40
TLR7 Q9NYK1 1/20 0.40
THRA P10827 1/20 0.40
THRB P10828 1/20 0.40
CES2 O00748 1/20 0.40
MBTD1 Q05BQ5 3/20 0.39

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
SCHEMBL13072186 1.00 HTR2C (0.46) HTR2CLMNAMEN1KMT2AL3MBTL3
SCHEMBL3403991 0.92 RAB9A (0.44) HTR2CLMNAKMT2A
SCHEMBL3405147 0.89 MEN1 (0.49) HTR2CLMNAMEN1KMT2AL3MBTL3
SCHEMBL3401211 0.89 MEN1 (0.49) HTR2CLMNAMEN1KMT2AL3MBTL3
SCHEMBL3399875 0.89 HTR2C (0.48) HTR2CLMNAMEN1KMT2AL3MBTL3
SCHEMBL3405416 0.89 HTR2C (0.48) HTR2CLMNAMEN1KMT2AL3MBTL3
SCHEMBL3396702 0.88 HTR2C (0.47) HTR2CLMNAMEN1KMT2AL3MBTL3
SCHEMBL3401600 0.88 HRH3 (0.48) HTR2CLMNAMEN1KMT2AL3MBTL3
SCHEMBL3400956 0.88 HTR2C (0.47) HTR2CLMNAMEN1KMT2AL3MBTL3
SCHEMBL3405106 0.88 HRH3 (0.48) HTR2CLMNAMEN1KMT2AL3MBTL3

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 HTR2C 416/4885LMNA 4548/4885MEN1 1347/4885

“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.