SCHEMBL3404735

SCHEMBL3404735

CCCCN1CCCN(C(=O)c2sc(-c3c(C)cccc3C)nc2C)CC1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 7/20 0.48
GRIN2B Q13224 3/20 0.44
BCHE P06276 2/20 0.44
CES2 O00748 1/20 0.44
CNR1 P21554 1/20 0.43
PARP1 P09874 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 1/20 0.40
POLB P06746 1/20 0.39
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
HSP90AA1 P07900 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
THRA P10827 1/20 0.38
THRB P10828 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL3398622 0.90 HTR2C (0.47) HTR2CGRIN2BBCHECES2CNR1
SCHEMBL3400126 0.89 HTR2C (0.53) HTR2CGRIN2BBCHECES2CNR1
SCHEMBL13071667 0.89 HTR2C (0.55) HTR2CGRIN2BBCHECES2CNR1
SCHEMBL3402652 0.89 HTR2C (0.46) HTR2CCES2CNR1ALDH1A1KDM4E
SCHEMBL3401176 0.87 CNR1 (0.60) HTR2CCES2CNR1PARP1ALDH1A1
SCHEMBL3405569 0.85 CNR1 (0.48) HTR2CGRIN2BCES2CNR1PARP1
SCHEMBL3402206 0.85 HTR2C (0.71) HTR2CGRIN2BCES2PARP1POLB
SCHEMBL3402333 0.85 HTR2C (0.57) HTR2CGRIN2BCES2CNR1PARP1
SCHEMBL3402609 0.84 THRA (0.47) HTR2CGRIN2BBCHECES2CNR1
SCHEMBL3403538 0.84 HTR2C (0.54) HTR2CCES2CNR1PARP1ALDH1A1

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 416/4885GRIN2B 138/4885BCHE 547/4885

“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.