SCHEMBL6133428

SCHEMBL6133428

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

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
ADORA2A P29274 9/20 0.46
ADORA1 P30542 8/20 0.46
XIAP P98170 3/20 0.45
MAPT P10636 2/20 0.43
HTT P42858 2/20 0.43
KMT2A Q03164 1/20 0.42
RORC P51449 1/20 0.41
KDM4E B2RXH2 2/20 0.41
LMNA P02545 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAPK1 P28482 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL6133361 0.92 ADORA2A (0.48) ALDH1A1ADORA2AADORA1XIAPMAPT
SCHEMBL6133789 0.89 ALDH1A1 (0.48) ALDH1A1ADORA2AADORA1XIAPMAPT
SCHEMBL6133306 0.89 ADORA1 (0.60) ALDH1A1ADORA2AADORA1XIAPMAPT
SCHEMBL6133290 0.88 ADORA2A (0.58) ADORA2AADORA1XIAPRORCSMN1; SMN2
SCHEMBL6133654 0.86 ALDH1A1 (0.54) ALDH1A1ADORA2AADORA1XIAPMAPT
Hydrochloric Acid SCHEMBL6133730 0.86 ADORA2A (0.46) ALDH1A1ADORA2AADORA1XIAPMAPT
Hydrochloric Acid SCHEMBL6134329 0.86 MAPT (0.47) ALDH1A1ADORA2AADORA1XIAPMAPT
Hydrochloric Acid SCHEMBL6134653 0.86 ALDH1A1 (0.45) ALDH1A1ADORA2AADORA1XIAPMAPT
SCHEMBL6135469 0.85 XIAP (0.55) ALDH1A1ADORA2AADORA1XIAPMAPT
SCHEMBL6133766 0.85 RAB9A (0.46) ALDH1A1ADORA2AADORA1XIAPMAPT

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 630/4885ADORA2A 635/4885ADORA1 243/4885

“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.