SCHEMBL6133760

SCHEMBL6133760

CC(C)n1nc(-c2sc(C(=O)NC3CC3)nc2-c2ccccc2)ccc1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.40
CNR1 P21554 3/20 0.39
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
HTR4 Q13639 1/20 0.38
TTK P33981 3/20 0.38
BRD4 O60885 2/20 0.38
CNR2 P34972 2/20 0.38
TP53 P04637 1/20 0.38
TACR2 P21452 1/20 0.38
TACR3 P29371 1/20 0.38
OPRM1 P35372 1/20 0.38
BRD2 P25440 1/20 0.38
BRD3 Q15059 1/20 0.38
BRDT Q58F21 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
MAPK8 P45983 1/20 0.37
MEN1 O00255 1/20 0.37

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
SCHEMBL6133631 0.95 MAOB (0.47) MAOBCNR1CNR2TACR2TACR3
SCHEMBL6133269 0.90 HPGD (0.42) CNR1CNR2TP53ALDH1A1NPC1
SCHEMBL6133317 0.89 MAPT (0.46) BRD4CNR2ALDH1A1NPC1RAB9A
SCHEMBL6134062 0.89 MAP4K4 (0.41) CNR1CNR2KMT2A
SCHEMBL6133504 0.88 LCK (0.38) MAOBHTR4ALDH1A1MEN1KMT2A
SCHEMBL6133434 0.87 ALDH1A1 (0.46) MAOBCNR1CNR2ALDH1A1LMNA
SCHEMBL6134642 0.87 TP53 (0.41) ADORA2AADORA1TP53ALDH1A1HTT
SCHEMBL6133813 0.86 ALOX15 (0.46) ADORA2AADORA1TP53TACR2ALDH1A1
SCHEMBL6134311 0.84 HPGD (0.41) ADORA2ABRD4TP53ALDH1A1HTT
SCHEMBL6133518 0.84 USP2 (0.46) MAOBCNR1ADORA2AADORA1CNR2

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 MAOB 1240/4885CNR1 169/4885ADORA2A 635/4885

“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.