SCHEMBL3402302

SCHEMBL3402302

CCOC(=O)c1cnc(-c2cccc3ccccc23)n1CC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC25B P30305 2/20 0.46
FNTA P49354 1/20 0.46
FNTB P49356 1/20 0.46
ALDH1A1 P00352 4/20 0.45
KDM4E B2RXH2 4/20 0.45
HSD17B10 Q99714 2/20 0.45
ALOX15 P16050 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
HPGD P15428 2/20 0.45
GAA P10253 1/20 0.45
TSHR P16473 1/20 0.45
ATM Q13315 1/20 0.45
KMT2A Q03164 3/20 0.45
RAB9A P51151 2/20 0.45
MEN1 O00255 1/20 0.45
NPC1 O15118 1/20 0.45
MAPT P10636 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
MAPK1 P28482 2/20 0.44
HCRTR1 O43613 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
SCHEMBL3402974 0.86 KDM4E (0.48) ALDH1A1KDM4EHPGDKMT2AMEN1
SCHEMBL3400011 0.79 ALDH1A1 (0.50) CDC25BFNTAFNTBALDH1A1KDM4E
SCHEMBL3405737 0.79 MAPK1 (0.59) CDC25BFNTAFNTBALDH1A1KDM4E
SCHEMBL3402362 0.77 MAPK1 (0.51) CDC25BFNTAFNTBALDH1A1KDM4E
SCHEMBL3400970 0.76 PARP1 (0.42) LMNA
SCHEMBL5548693 0.74 ALDH1A1 (0.46) CDC25BFNTAFNTBALDH1A1KDM4E
SCHEMBL3401425 0.74 TDP1 (0.50) CDC25BFNTAFNTBALDH1A1KDM4E
SCHEMBL3402312 0.74 HTR2C (0.43) ALDH1A1KDM4EHPGDTSHRKMT2A
SCHEMBL3403662 0.74 ACACB (0.44) ALDH1A1KDM4EHPGDTSHRKMT2A
SCHEMBL291900 0.73 CDC25B (0.62) CDC25BFNTAFNTBALDH1A1KDM4E

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
EP-1848428-A2 THIAZOLE AMIDES, IMIDAZOLE AMIDES AND RELATED ANALOGUES NEUROGEN CORPORATION (US) 2007-10-31 EP disclosed
WO-2006089076-A9 THIAZOLE AMIDES, IMIDAZOLE AMIDES AND RELATED ANALOGUES NEUROGEN CORP (US) 2007-04-26 WO disclosed
WO-2006089076-A2 THIAZOLE AMIDES, IMIDAZOLE AMIDES AND RELATED ANALOGUES NEUROGEN CORPORATION (US) 2006-08-24 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 CDC25B 3857/4885FNTA 4497/4885FNTB 3696/4885

“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.