SCHEMBL13071982

SCHEMBL13071982

Cc1nc(-c2cccc3cccnc23)sc1C(=O)N1CCN(C(C)C)CC1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 10/20 0.56
CES2 O00748 1/20 0.48
CNR1 P21554 1/20 0.44
PARP1 P09874 1/20 0.40
SIGLEC9 Q9Y336 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
KDM4E B2RXH2 1/20 0.37
KMT2A Q03164 1/20 0.37
ALDH1A1 P00352 1/20 0.37
P2RX7 Q99572 1/20 0.36

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
SCHEMBL3398799 0.84 HTR2C (0.78) HTR2CCES2CNR1PARP1
SCHEMBL3400778 0.83 HTR2C (0.57) HTR2CCES2CNR1PARP1SIGLEC9
SCHEMBL13309912 0.83 HTR2C (0.59) HTR2CCES2CNR1PARP1SIGLEC9
SCHEMBL3401181 0.82 CNR1 (0.47) HTR2CCES2CNR1PARP1SIGLEC9
SCHEMBL3400042 0.82 HTR2C (0.58) HTR2CCES2CNR1PARP1MAPT
SCHEMBL3400118 0.82 HTR2C (0.50) HTR2CCES2CNR1PARP1SIGLEC9
SCHEMBL3403332 0.81 HTR2C (0.55) HTR2CCES2CNR1PARP1SIGLEC9
SCHEMBL3405898 0.81 HTR2C (0.55) HTR2CCES2CNR1PARP1MAPT
SCHEMBL3402963 0.81 HTR2C (0.57) HTR2CCES2CNR1PARP1SIGLEC9
SCHEMBL3404790 0.81 HTR2C (0.57) HTR2CCES2CNR1PARP1POLB

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 4 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
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 416/4885CES2 1068/4885CNR1 35/4885

“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.