SCHEMBL3398623

SCHEMBL3398623

CC(=O)c1cccc(-c2nc(C)c(C(=O)NCCCCN3CCCC3)s2)c1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMYD2 Q9NRG4 5/20 0.52
GAA P10253 1/20 0.46
NPC1 O15118 1/20 0.46
HPGD P15428 1/20 0.46
KMT2A Q03164 1/20 0.46
FPR3 P25089 2/20 0.45
FPR2 P25090 2/20 0.45
PPARD Q03181 2/20 0.45
PPARA Q07869 2/20 0.45
HTR1A P08908 1/20 0.45
HTR2A P28223 1/20 0.45
DRD3 P35462 1/20 0.45
TP53 P04637 1/20 0.45
MAPT P10636 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
SCHEMBL3400541 0.93 HPGD (0.48) SMYD2GAANPC1HPGDKMT2A
SCHEMBL3402374 0.89 SMYD2 (0.49) SMYD2GAANPC1HPGDPPARD
SCHEMBL3404930 0.89 CHRM4 (0.48) GAANPC1HPGDKMT2AFPR3
SCHEMBL3401173 0.88 MAPT (0.50) SMYD2GAANPC1HPGDHTR1A
SCHEMBL3400521 0.86 GAA (0.45) SMYD2GAANPC1HPGDHTR1A
SCHEMBL3403850 0.85 ALDH1A1 (0.57) SMYD2GAANPC1HPGDKMT2A
SCHEMBL3401375 0.85 SMYD2 (0.51) SMYD2GAANPC1HPGDDRD3
SCHEMBL3403357 0.85 DRD3 (0.49) SMYD2GAANPC1HPGDKMT2A
SCHEMBL3405754 0.85 ALDH1A1 (0.47) SMYD2GAANPC1HPGDHTR1A
SCHEMBL3405243 0.84 RAB9A (0.51) NPC1PPARDPPARATP53MAPT

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 SMYD2 3691/4885GAA 1659/4885NPC1 2005/4885

“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.