SCHEMBL6133110

SCHEMBL6133110

CC(C)n1nc(-c2sc(NC(=O)c3ccc(CN4CCCCC4)cc3)nc2-c2ccccc2)ccc1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.49
HPGD P15428 4/20 0.49
MAPT P10636 4/20 0.49
TRPV4 Q9HBA0 3/20 0.48
KMT2A Q03164 4/20 0.48
HDAC1 Q13547 1/20 0.46
ADORA2A P29274 4/20 0.46
ADORA1 P30542 3/20 0.46
MEN1 O00255 3/20 0.43
KDM4E B2RXH2 2/20 0.43
HRH3 Q9Y5N1 2/20 0.43
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CSNK1D P48730 1/20 0.42
CSNK1E P49674 1/20 0.42
PTGS2 P35354 1/20 0.42
ALK Q9UM73 1/20 0.42
KIT P10721 1/20 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
SCHEMBL6134552 0.99 SMN1; SMN2 (0.49) SMN1; SMN2HPGDMAPTTRPV4KMT2A
SCHEMBL6133938 0.93 ALK (0.50) TRPV4HDAC1ADORA2AADORA1ALK
SCHEMBL6134455 0.92 HIF1A (0.48) SMN1; SMN2HPGDMAPTTRPV4HDAC1
SCHEMBL6133807 0.90 SMN1; SMN2 (0.46) SMN1; SMN2HPGDMAPTTRPV4KMT2A
SCHEMBL6133384 0.88 ADORA2A (0.50) SMN1; SMN2HPGDMAPTKMT2AADORA2A
SCHEMBL6133433 0.87 ADORA2A (0.48) SMN1; SMN2HPGDMAPTKMT2AADORA2A
SCHEMBL6133303 0.86 ADORA2A (0.60) SMN1; SMN2HPGDMAPTKMT2AADORA2A
SCHEMBL6133349 0.86 ADORA2A (0.53) SMN1; SMN2HPGDMAPTKMT2AADORA2A
SCHEMBL6133816 0.85 HDAC1 (0.52) SMN1; SMN2MAPTKMT2AHDAC1ADORA2A
SCHEMBL6133651 0.85 NPC1 (0.51) SMN1; SMN2HPGDMAPTADORA2AADORA1

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 SMN1; SMN2 3135/4885HPGD 1177/4885MAPT 3008/4885

“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.