SCHEMBL3403653

SCHEMBL3403653

CCCCN1CCCN(C(=O)c2sc(-c3ccc(F)c(C)c3)nc2C)CC1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
THRA P10827 4/20 0.45
THRB P10828 4/20 0.45
CNR1 P21554 1/20 0.42
PARP1 P09874 5/20 0.42
HRH3 Q9Y5N1 1/20 0.41
HTR2C P28335 3/20 0.41
CES2 O00748 1/20 0.39
GRIN2B Q13224 4/20 0.37
GAA P10253 1/20 0.37
GRIN1 Q05586 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
SCHEMBL3400494 0.94 THRA (0.45) THRATHRBCNR1PARP1HRH3
SCHEMBL3405660 0.93 THRA (0.45) THRATHRBCNR1PARP1HRH3
SCHEMBL3402609 0.92 THRA (0.47) THRATHRBCNR1PARP1HRH3
SCHEMBL3400840 0.91 THRA (0.43) THRATHRBCNR1PARP1HRH3
SCHEMBL3398458 0.91 THRA (0.43) THRATHRBCNR1PARP1HRH3
SCHEMBL3402581 0.89 CNR1 (0.47) THRATHRBCNR1PARP1HRH3
SCHEMBL3404572 0.88 PDE4A (0.43) THRATHRBCNR1PARP1HRH3
SCHEMBL3398386 0.88 THRA (0.43) THRATHRBCNR1HRH3HTR2C
SCHEMBL3404063 0.87 TRPM8 (0.50) THRATHRBCNR1HRH3HTR2C
SCHEMBL3405771 0.87 CNR1 (0.43) THRATHRBCNR1PARP1HRH3

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 THRA 38/4885THRB 60/4885CNR1 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.