SCHEMBL3404209

SCHEMBL3404209

Cc1cc(C)c(-c2nc(C)c(C(=O)N3CCN(C(C)C)CC3)s2)cc1C

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 8/20 0.49
CNR1 P21554 1/20 0.45
CES2 O00748 1/20 0.40
PARP1 P09874 1/20 0.40
THRA P10827 2/20 0.38
THRB P10828 2/20 0.38
HRH3 Q9Y5N1 5/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL3405332 0.87 HTR2C (0.49) HTR2CCNR1CES2PARP1THRA
SCHEMBL3406038 0.85 HTR2C (0.47) HTR2CCNR1CES2PARP1THRA
SCHEMBL3407762 0.85 HTR2C (0.47) HTR2CCNR1CES2PARP1THRA
SCHEMBL3404163 0.85 HTR2C (0.47) HTR2CCNR1CES2HRH3KDM4E
SCHEMBL13309912 0.85 HTR2C (0.59) HTR2CCNR1CES2PARP1HRH3
SCHEMBL3404031 0.85 HTR2C (0.47) HTR2CCNR1CES2HRH3KDM4E
SCHEMBL3405916 0.84 CNR1 (0.51) HTR2CCNR1PARP1THRATHRB
SCHEMBL3405446 0.83 CNR1 (0.47) HTR2CCNR1PARP1THRATHRB
SCHEMBL3400778 0.83 HTR2C (0.57) HTR2CCNR1CES2PARP1HRH3
SCHEMBL3404912 0.82 CNR1 (0.51) HTR2CCNR1PARP1THRATHRB

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 6 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
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 416/4885CNR1 35/4885CES2 1068/4885

“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.