SCHEMBL13072012

SCHEMBL13072012

COc1ccc(-c2nc(C)c(C(=O)N3CCC(N4CCCCC4)CC3)s2)c(O)c1OC

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 7/20 0.47
L3MBTL3 Q96JM7 4/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
HRH3 Q9Y5N1 3/20 0.41
CES2 O00748 1/20 0.41
MBTD1 Q05BQ5 3/20 0.41
LMNA P02545 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL13072014 1.00 HTR2C (0.47) HTR2CL3MBTL3L3MBTL1HRH3CES2
SCHEMBL3401060 0.93 HTR2C (0.48) HTR2CL3MBTL3L3MBTL1HRH3CES2
SCHEMBL3399981 0.93 HTR2C (0.48) HTR2CL3MBTL3L3MBTL1HRH3CES2
SCHEMBL13071985 0.92 HTR2C (0.43) HTR2CHRH3ALDH1A1HPGD
SCHEMBL3401211 0.85 MEN1 (0.49) HTR2CL3MBTL3L3MBTL1HRH3CES2
SCHEMBL3405147 0.85 MEN1 (0.49) HTR2CL3MBTL3L3MBTL1HRH3CES2
SCHEMBL3399875 0.85 HTR2C (0.48) HTR2CL3MBTL3L3MBTL1HRH3CES2
SCHEMBL3405416 0.85 HTR2C (0.48) HTR2CL3MBTL3L3MBTL1HRH3CES2
SCHEMBL3402452 0.85 HTR2C (0.48) HTR2CL3MBTL3L3MBTL1HRH3CES2
SCHEMBL13072189 0.85 HTR2C (0.58) HTR2CL3MBTL3L3MBTL1HRH3CES2

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 1 patent. 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

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 416/4885L3MBTL3 3567/4885L3MBTL1 2686/4885

“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.