SCHEMBL6133766

SCHEMBL6133766

CC(C)n1nc(-c2sc(NC(=O)COc3ccccc3)nc2-c2ccccc2)ccc1=O

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.46
ALDH1A1 P00352 5/20 0.46
MAPT P10636 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
KDM4E B2RXH2 2/20 0.46
RXFP1 Q9HBX9 1/20 0.46
NPC1 O15118 3/20 0.46
TSHR P16473 2/20 0.46
HSD17B10 Q99714 2/20 0.45
MAPK1 P28482 1/20 0.45
ADORA2A P29274 5/20 0.45
ADORA1 P30542 5/20 0.45
TP53 P04637 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
HPGD P15428 1/20 0.44
XIAP P98170 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
SCHEMBL6133306 0.87 ADORA1 (0.60) ALDH1A1MAPTKDM4EADORA2AADORA1
SCHEMBL6133361 0.87 ADORA2A (0.48) ALDH1A1MAPTSMN1; SMN2KDM4EHSD17B10
SCHEMBL6133781 0.86 XIAP (0.46) RAB9AALDH1A1MAPTSMN1; SMN2NPC1
SCHEMBL6133290 0.86 ADORA2A (0.58) SMN1; SMN2ADORA2AADORA1XIAP
SCHEMBL6133428 0.85 ALDH1A1 (0.47) ALDH1A1MAPTSMN1; SMN2KDM4EHSD17B10
SCHEMBL6133654 0.85 ALDH1A1 (0.54) ALDH1A1MAPTKDM4EADORA2AADORA1
Hydrochloric Acid SCHEMBL6133730 0.84 ADORA2A (0.46) ALDH1A1MAPTSMN1; SMN2KDM4EHSD17B10
Hydrochloric Acid SCHEMBL6134329 0.84 MAPT (0.47) ALDH1A1MAPTSMN1; SMN2KDM4EHSD17B10
SCHEMBL6133588 0.84 RORC (0.52) ALDH1A1MAPTKDM4EADORA2AADORA1
SCHEMBL6135469 0.84 XIAP (0.55) RAB9AALDH1A1MAPTSMN1; SMN2NPC1

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 RAB9A 1067/4885ALDH1A1 630/4885MAPT 3008/4885

“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.