SCHEMBL6133518

SCHEMBL6133518

CCn1nc(-c2sc(C(=O)NC3CC3)nc2-c2ccccc2)ccc1=O

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.46
MAPK1 P28482 1/20 0.46
ALDH1A1 P00352 2/20 0.43
CNR1 P21554 4/20 0.42
CNR2 P34972 3/20 0.42
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ADORA1 P30542 3/20 0.41
ADORA2A P29274 2/20 0.41
CYP2D6 P10635 1/20 0.41
MAOB P27338 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PDE4B Q07343 2/20 0.40
ADORA2B P29275 1/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40
CRHR1 P34998 1/20 0.40
CRHR2 Q13324 1/20 0.40
TP53 P04637 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
SCHEMBL6133697 0.92 HSD17B10 (0.46) USP2MAPK1ALDH1A1CNR1CNR2
SCHEMBL6133653 0.89 ALDH1A1 (0.54) USP2MAPK1ALDH1A1CNR1CNR2
SCHEMBL6828616 0.89 USP2 (0.43) USP2MAPK1ALDH1A1CNR1CNR2
SCHEMBL6920286 0.88 HTT (0.43) USP2MAPK1ALDH1A1CNR1CNR2
SCHEMBL6133434 0.87 ALDH1A1 (0.46) MAPK1ALDH1A1CNR1CNR2MAPT
SCHEMBL6133574 0.86 HSD17B10 (0.46) USP2ALDH1A1SMN1; SMN2ADORA2AHSD17B10
SCHEMBL6133760 0.84 MAOB (0.40) ALDH1A1CNR1CNR2SMN1; SMN2ADORA1
SCHEMBL6133356 0.84 KDM4E (0.51) ALDH1A1SMN1; SMN2ADORA2AHSD17B10PDE4B
SCHEMBL6133611 0.83 HTT (0.44) SMN1; SMN2ADORA1ADORA2AHSD17B10PDE4B
SCHEMBL6133966 0.81 HTT (0.52) USP2MAPK1ALDH1A1SMN1; SMN2HSD17B10

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 USP2 4097/4885MAPK1 3652/4885ALDH1A1 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.