SCHEMBL3398438

SCHEMBL3398438

Cc1ccc(-c2nc(C)c(C(=O)N3CCC(N4CCCCCC4)CC3)s2)cc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.53
CNR1 P21554 1/20 0.53
THRA P10827 2/20 0.52
THRB P10828 2/20 0.52
KDM4E B2RXH2 1/20 0.51
GAA P10253 1/20 0.51
RAB9A P51151 1/20 0.51
L3MBTL3 Q96JM7 6/20 0.50
L3MBTL1 Q9Y468 5/20 0.50
HTR2C P28335 3/20 0.50
OXTR P30559 1/20 0.49
MBTD1 Q05BQ5 4/20 0.49
LMNA P02545 1/20 0.48
TP53BP1 Q12888 1/20 0.47
L3MBTL4 Q8NA19 1/20 0.47

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
SCHEMBL13071719 1.00 HRH3 (0.53) HRH3CNR1THRATHRBKDM4E
SCHEMBL13071534 0.91 L3MBTL1 (0.57) HRH3CNR1THRATHRBKDM4E
SCHEMBL13071533 0.91 HRH3 (0.64) HRH3CNR1THRATHRBKDM4E
SCHEMBL3400035 0.91 L3MBTL1 (0.57) HRH3CNR1THRATHRBKDM4E
SCHEMBL3405708 0.91 HRH3 (0.64) HRH3CNR1THRATHRBKDM4E
SCHEMBL3404149 0.91 THRA (0.49) HRH3CNR1THRATHRBL3MBTL3
SCHEMBL3405391 0.91 CNR1 (0.65) HRH3CNR1THRATHRBL3MBTL3
SCHEMBL3403003 0.91 CNR1 (0.65) HRH3CNR1THRATHRBL3MBTL3
SCHEMBL3404094 0.91 THRA (0.49) HRH3CNR1THRATHRBL3MBTL3
SCHEMBL3402091 0.90 HRH3 (0.51) HRH3CNR1THRATHRBL3MBTL3

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 HRH3 1/4885CNR1 35/4885THRA 38/4885

“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.