SCHEMBL3404675

SCHEMBL3404675

COc1cccc(OC)c1-c1nc(C)c(C(=O)N2CCC(N3CCCCCC3)CC2)s1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 5/20 0.51
HRH3 Q9Y5N1 3/20 0.46
L3MBTL3 Q96JM7 7/20 0.46
L3MBTL1 Q9Y468 7/20 0.46
LMNA P02545 1/20 0.45
MBTD1 Q05BQ5 3/20 0.44
KDM4E B2RXH2 3/20 0.44
TP53BP1 Q12888 1/20 0.44
CNR1 P21554 1/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
KMT2A Q03164 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
SCHEMBL3405636 1.00 HTR2C (0.51) HTR2CHRH3L3MBTL3L3MBTL1LMNA
SCHEMBL3403840 0.91 HTR2C (0.47) HTR2CLMNACNR1MEN1ALDH1A1
SCHEMBL13310362 0.90 L3MBTL3 (0.45) HTR2CHRH3L3MBTL3L3MBTL1LMNA
SCHEMBL13072189 0.89 HTR2C (0.58) HTR2CHRH3L3MBTL3L3MBTL1LMNA
SCHEMBL3401809 0.89 HTR2C (0.58) HTR2CHRH3L3MBTL3L3MBTL1LMNA
SCHEMBL3406034 0.89 HTR2C (0.56) HTR2CHRH3L3MBTL3L3MBTL1LMNA
SCHEMBL3403306 0.89 HTR2C (0.56) HTR2CHRH3L3MBTL3L3MBTL1LMNA
SCHEMBL3402125 0.88 HTR2C (0.54) HTR2CHRH3L3MBTL3L3MBTL1LMNA
SCHEMBL3403891 0.88 HTR2C (0.54) HTR2CHRH3L3MBTL3L3MBTL1LMNA
SCHEMBL3406023 0.86 MEN1 (0.54) HTR2CHRH3L3MBTL3L3MBTL1LMNA

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 416/4885HRH3 1/4885L3MBTL3 3567/4885

“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.