SCHEMBL3401828

SCHEMBL3401828

CC(=O)c1cccc(-c2nc(C)c(C(=O)N3CCN(C4CCCC4)CC3)s2)c1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.52
CNR1 P21554 1/20 0.50
HTR2C P28335 4/20 0.48
KMT2A Q03164 1/20 0.46
THRA P10827 2/20 0.45
THRB P10828 2/20 0.45
ALDH1A1 P00352 2/20 0.45
HPGD P15428 1/20 0.45
KDM4E B2RXH2 2/20 0.45
POLB P06746 1/20 0.45
HTT P42858 1/20 0.44
ACACB O00763 1/20 0.44
ACACA Q13085 1/20 0.44
L3MBTL1 Q9Y468 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
SCHEMBL3406102 0.91 HRH3 (0.61) HRH3CNR1HTR2CTHRATHRB
SCHEMBL3398667 0.91 HRH3 (0.61) HRH3CNR1HTR2CTHRATHRB
SCHEMBL3404795 0.89 CNR1 (0.53) HRH3CNR1HTR2CKMT2ATHRA
SCHEMBL3401239 0.88 PIK3CA (0.49) HRH3CNR1HTR2CKMT2ATHRA
SCHEMBL3401857 0.88 CNR1 (0.51) HRH3CNR1HTR2CTHRATHRB
SCHEMBL3398926 0.87 TRPM8 (0.54) HRH3CNR1HTR2CTHRATHRB
SCHEMBL3405417 0.87 KMT2A (0.57) HRH3CNR1HTR2CKMT2ATHRA
SCHEMBL3400921 0.87 CNR1 (0.66) HRH3CNR1HTR2CKMT2AALDH1A1
SCHEMBL3398454 0.86 MAPK1 (0.51) HRH3CNR1HTR2CTHRATHRB
SCHEMBL3403007 0.85 CNR1 (0.52) HRH3CNR1HTR2CKMT2ATHRA

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
US-7728009-B1 Thiazole amides, imidazole amides and related analogues NEUROGEN CORPORATION (US) 2010-06-01 US 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 1/4885CNR1 35/4885HTR2C 416/4885

“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.