SCHEMBL3406012

SCHEMBL3406012

CCOC(=O)c1ccc(-c2nc(C)c(C(=O)N3CCC(N4CCCCC4)CC3)s2)cc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.49
L3MBTL3 Q96JM7 5/20 0.47
MBTD1 Q05BQ5 4/20 0.47
L3MBTL1 Q9Y468 4/20 0.47
CDC7 O00311 1/20 0.47
DBF4 Q9UBU7 1/20 0.47
CNR1 P21554 1/20 0.46
THRA P10827 2/20 0.46
THRB P10828 2/20 0.46
TP53BP1 Q12888 1/20 0.46
L3MBTL4 Q8NA19 1/20 0.46
OXTR P30559 1/20 0.44
ALDH1A1 P00352 1/20 0.44
POLB P06746 1/20 0.44
HTR2C P28335 1/20 0.44
RARA P10276 1/20 0.44
RARB P10826 1/20 0.44
RARG P13631 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
SCHEMBL3405539 1.00 HRH3 (0.49) HRH3L3MBTL3MBTD1L3MBTL1CDC7
SCHEMBL3403390 0.91 ALDH1A1 (0.52) HRH3L3MBTL3L3MBTL1CDC7DBF4
SCHEMBL13309726 0.89 HRH3 (0.51) HRH3L3MBTL3MBTD1L3MBTL1CNR1
SCHEMBL3402091 0.89 HRH3 (0.51) HRH3L3MBTL3MBTD1L3MBTL1CNR1
SCHEMBL13071649 0.88 HRH3 (0.54) HRH3L3MBTL3L3MBTL1CNR1THRA
SCHEMBL3403457 0.88 HRH3 (0.54) HRH3L3MBTL3L3MBTL1CNR1THRA
SCHEMBL3403481 0.87 HRH3 (0.59) HRH3L3MBTL3MBTD1L3MBTL1CNR1
SCHEMBL3403693 0.87 HRH3 (0.59) HRH3L3MBTL3MBTD1L3MBTL1CNR1
SCHEMBL3398438 0.86 HRH3 (0.53) HRH3L3MBTL3MBTD1L3MBTL1CNR1
SCHEMBL13071719 0.86 HRH3 (0.53) HRH3L3MBTL3MBTD1L3MBTL1CNR1

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 HRH3 1/4885L3MBTL3 3567/4885MBTD1 2275/4885

“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.