SCHEMBL6133744

SCHEMBL6133744

CC(C)n1nc(-c2sc(C(=O)NN(C)C)nc2-c2ccc(F)cc2)ccc1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.38
HDAC1 Q13547 6/20 0.36
HDAC3 O15379 1/20 0.36
KCNH2 Q12809 1/20 0.36
HDAC2 Q92769 1/20 0.36
PTGS2 P35354 1/20 0.35
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
RET P07949 1/20 0.34
TGFBR1 P36897 4/20 0.33
TGFBR2 P37173 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
HSD17B10 Q99714 1/20 0.33
BMPR1B O00238 1/20 0.32
BMPR1A P36894 1/20 0.32
ACVRL1 P37023 1/20 0.32
ACVR1 Q04771 1/20 0.32
GABRA5 P31644 1/20 0.32
CSNK1D P48730 1/20 0.32

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
SCHEMBL6133040 0.88 GABRA5 (0.40) HDAC6HDAC1PTGS2ADORA2AADORA1
SCHEMBL6134790 0.87 TGFBR1 (0.41) HDAC6HDAC1HDAC3KCNH2HDAC2
SCHEMBL6923908 0.87 HDAC6 (0.35) HDAC6HDAC1HDAC3KCNH2HDAC2
SCHEMBL6133930 0.86 RET (0.42) HDAC6PTGS2ADORA2AADORA1RET
SCHEMBL6133269 0.85 HPGD (0.42) HDAC6TGFBR1NPC1RAB9AGABRA5
SCHEMBL6133569 0.85 HDAC6 (0.45) HDAC6HDAC1HDAC3KCNH2HDAC2
SCHEMBL6133196 0.82 L3MBTL1 (0.40) HDAC6KCNH2HSD17B10ALDH1A1
SCHEMBL6133158 0.82 PTGS2 (0.56) PTGS2TGFBR1NPC1RAB9AHSD17B10
SCHEMBL6133345 0.80 SMN1; SMN2 (0.49) ADORA2AADORA1NPC1RAB9AHSD17B10
SCHEMBL6133441 0.80 ALDH1A1 (0.47) KCNH2ADORA2AADORA1NPC1ALDH1A1

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 HDAC6 222/4885HDAC1 601/4885HDAC3 388/4885

“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.