SCHEMBL3401296

SCHEMBL3401296

COc1ccc2cc(-c3nc(C)c(C(=O)N4CCC(N5CCCCC5)CC4)s3)ccc2c1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
THRA P10827 2/20 0.51
THRB P10828 2/20 0.51
HRH3 Q9Y5N1 9/20 0.48
L3MBTL3 Q96JM7 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HTR2C P28335 1/20 0.45
CES2 O00748 1/20 0.44
CNR1 P21554 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
SCHEMBL3405192 1.00 THRA (0.51) THRATHRBHRH3L3MBTL3L3MBTL1
SCHEMBL13309807 0.92 HRH3 (0.56) THRATHRBHRH3L3MBTL3L3MBTL1
SCHEMBL3398959 0.92 HRH3 (0.56) THRATHRBHRH3L3MBTL3L3MBTL1
SCHEMBL3400922 0.91 PKM (0.47) THRATHRBHRH3ALDH1A1CNR1
SCHEMBL3405591 0.91 HRH3 (0.55) THRATHRBHRH3L3MBTL3L3MBTL1
SCHEMBL13309675 0.91 HRH3 (0.55) THRATHRBHRH3L3MBTL3L3MBTL1
SCHEMBL3404999 0.90 HRH3 (0.58) THRATHRBHRH3L3MBTL3L3MBTL1
SCHEMBL13071970 0.90 HRH3 (0.58) THRATHRBHRH3L3MBTL3L3MBTL1
SCHEMBL13309613 0.90 HTR2C (0.53) THRATHRBHRH3L3MBTL3L3MBTL1
SCHEMBL3400262 0.90 HTR2C (0.53) THRATHRBHRH3L3MBTL3L3MBTL1

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 THRA 38/4885THRB 60/4885HRH3 1/4885

“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.