SCHEMBL6133764

SCHEMBL6133764

CC(C)n1nc(-c2sc(NC(=O)c3c(Cl)cccc3Cl)nc2-c2ccccc2)ccc1=O

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
MAPT P10636 1/20 0.46
HTT P42858 1/20 0.46
ADORA2A P29274 6/20 0.45
ADORA1 P30542 4/20 0.45
XIAP P98170 3/20 0.44
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
ADORA3 P0DMS8 2/20 0.41
ADORA2B P29275 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
POLB P06746 1/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TP53 P04637 2/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL6133630 0.91 ALDH1A1 (0.46) ALDH1A1MAPTHTTADORA2AADORA1
SCHEMBL6133303 0.88 ADORA2A (0.60) ALDH1A1MAPTHTTADORA2AADORA1
SCHEMBL6133349 0.87 ADORA2A (0.53) ALDH1A1MAPTHTTADORA2AADORA1
SCHEMBL6133409 0.87 ADORA2A (0.57) ALDH1A1MAPTHTTADORA2AADORA1
SCHEMBL6133367 0.86 ADORA1 (0.50) ALDH1A1MAPTHTTADORA2AADORA1
SCHEMBL6133654 0.85 ALDH1A1 (0.54) ALDH1A1MAPTHTTADORA2AADORA1
SCHEMBL6135469 0.84 XIAP (0.55) ALDH1A1MAPTHTTADORA2AADORA1
SCHEMBL6133156 0.84 CNR1 (0.47) ALDH1A1MAPTHTTADORA2AADORA1
SCHEMBL6134312 0.84 ALDH1A1 (0.47) ALDH1A1MAPTHTTADORA2AADORA1
SCHEMBL6133625 0.84 ADORA2A (0.56) ALDH1A1MAPTHTTADORA2AADORA1

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.