SCHEMBL6133910

SCHEMBL6133910

CC(C)n1nc(-c2sc(NCc3ccco3)nc2-c2ccccc2)ccc1=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.52
ALDH1A1 P00352 4/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
KMT2A Q03164 7/20 0.44
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.44
ADORA2A P29274 3/20 0.44
ADORA1 P30542 3/20 0.44
HSD17B10 Q99714 7/20 0.43
MAPK1 P28482 3/20 0.43
MEN1 O00255 3/20 0.43
NPSR1 Q6W5P4 2/20 0.43
GAA P10253 1/20 0.43
ALOX15 P16050 1/20 0.43
CLK1 P49759 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
HPGD P15428 3/20 0.43
KDM4E B2RXH2 5/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TSHR P16473 5/20 0.41

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
SCHEMBL6133821 0.86 TGFBR1 (0.44) MAPTALDH1A1L3MBTL1KMT2AADORA2A
SCHEMBL6133532 0.84 PTGS2 (0.44) MAPTALDH1A1ADORA2AADORA1HSD17B10
SCHEMBL6133360 0.82 PTGS2 (0.42) MAPTALDH1A1ADORA2AADORA1GAA
SCHEMBL6133468 0.82 ADORA2A (0.41) MAPTALDH1A1L3MBTL1KMT2ARAB9A
SCHEMBL6134205 0.81 XIAP (0.43) MAPTALDH1A1KMT2AADORA2AADORA1
Bromide SCHEMBL6134027 0.80 PTGS2 (0.40) MAPTALDH1A1RAB9ANPC1ADORA2A
SCHEMBL6136106 0.80 MAPT (0.50) MAPTALDH1A1L3MBTL1KMT2AADORA2A
SCHEMBL6133401 0.80 XIAP (0.42) MAPTALDH1A1KMT2AADORA2AADORA1
Bromide SCHEMBL6134102 0.80 XIAP (0.42) MAPTALDH1A1KMT2AADORA2AADORA1
SCHEMBL6133383 0.79 ALDH1A1 (0.43) MAPTALDH1A1RAB9ANPC1HPGD

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 3 patents. 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
EP-1441732-A2 THIAZOLE DERIVATIVE AND PHARMACEUTICAL USE THEREOF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-08-04 EP disclosed
WO-2003039451-A2 THIAZOLE PYRIDAZINONES AS ADENOSINE ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-05-15 WO 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 MAPT 3008/4885ALDH1A1 630/4885L3MBTL1 3609/4885

“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.