SCHEMBL6133470

SCHEMBL6133470

CC(C)NC(=O)c1nc(-c2ccccc2)c(-c2ccc(=O)n(C)n2)s1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
MAPT P10636 1/20 0.47
HTT P42858 1/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
CASP1 P29466 1/20 0.47
KDM4E B2RXH2 3/20 0.46
PHGDH O43175 10/20 0.42
ADORA3 P0DMS8 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA2B P29275 1/20 0.39
ADORA1 P30542 1/20 0.39
HSD17B10 Q99714 1/20 0.39
XIAP P98170 1/20 0.38

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
SCHEMBL6133813 0.88 ALOX15 (0.46) ALDH1A1MAPTHTTALOX15TSHR
SCHEMBL6133496 0.87 KDM4E (0.54) HTTALOX15TSHRCASP1KDM4E
SCHEMBL6133356 0.86 KDM4E (0.51) ALDH1A1HTTALOX15TSHRCASP1
SCHEMBL6134080 0.86 KDM4E (0.53) ALDH1A1HTTALOX15TSHRCASP1
SCHEMBL6134162 0.85 MEN1 (0.51) ALDH1A1ALOX15TSHRCASP1KDM4E
SCHEMBL6133994 0.84 ALDH1A1 (0.46) ALDH1A1MAPTHTTKDM4EPHGDH
SCHEMBL6133400 0.83 KDM4E (0.48) ALDH1A1MAPTHTTALOX15TSHR
SCHEMBL6133513 0.83 ALDH1A1 (0.46) ALDH1A1MAPTHTTKDM4EADORA2A
SCHEMBL6133434 0.83 ALDH1A1 (0.46) ALDH1A1MAPTHTTKDM4E
SCHEMBL6134322 0.82 PTGS2 (0.46) ALDH1A1MAPTHTTADORA3HSD17B10

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050004134-A1 Thiazole derivative and pharmaceutical use thereof ASTELLAS PHARMA INC. (JP) 2005-01-06 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-20050004134-A1 Thiazole derivative and pharmaceutical use thereof MC2R, CYP2C9, OXTR ALDH1A1 630/4885MAPT 3008/4885HTT 477/4885

“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.