SCHEMBL6134025

SCHEMBL6134025

COCCNCCC(=O)Nc1nc(-c2ccccc2)c(-c2ccc(=O)n(C(C)C)n2)s1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 9/20 0.42
ADORA1 P30542 8/20 0.42
ALDH1A1 P00352 5/20 0.42
HSD17B10 Q99714 2/20 0.42
MAPK1 P28482 1/20 0.42
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
XIAP P98170 3/20 0.41
MAPT P10636 3/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HTT P42858 2/20 0.39
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
RORC P51449 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
ADORA2B P29275 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
Hydrochloric Acid SCHEMBL6134306 0.92 ADORA2A (0.43) ADORA2AADORA1ALDH1A1HSD17B10MAPK1
Hydrochloric Acid SCHEMBL6133559 0.88 ADORA2A (0.42) ADORA2AADORA1ALDH1A1HSD17B10MAPK1
SCHEMBL6133275 0.85 ADORA1 (0.45) ADORA2AADORA1ALDH1A1HPGDXIAP
SCHEMBL6133428 0.85 ALDH1A1 (0.47) ADORA2AADORA1ALDH1A1HSD17B10MAPK1
SCHEMBL6133361 0.85 ADORA2A (0.48) ADORA2AADORA1ALDH1A1HSD17B10MAPK1
SCHEMBL6136106 0.85 MAPT (0.50) ADORA2AADORA1ALDH1A1HPGDXIAP
SCHEMBL6133691 0.85 ADORA2A (0.46) ADORA2AADORA1ALDH1A1HSD17B10XIAP
Hydrochloric Acid SCHEMBL6133503 0.84 ADORA2A (0.42) ADORA2AADORA1ALDH1A1HSD17B10MAPK1
SCHEMBL6133789 0.84 ALDH1A1 (0.48) ADORA2AADORA1ALDH1A1HPGDXIAP
SCHEMBL6133951 0.84 ADORA2A (0.45) ADORA2AADORA1ALDH1A1HSD17B10MAPK1

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 ADORA2A 635/4885ADORA1 243/4885ALDH1A1 630/4885

“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.