SCHEMBL6133773

SCHEMBL6133773

CC(C)n1nc(-c2sc(NCCN3CCOCC3)nc2-c2ccccc2)ccc1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.48
IDO1 P14902 1/20 0.44
CHRM1 P11229 2/20 0.43
ADORA2A P29274 1/20 0.43
ADORA1 P30542 1/20 0.43
TLR9 Q9NR96 1/20 0.42
PIK3CG P48736 1/20 0.42
HIF1A Q16665 1/20 0.42
ALDH1A1 P00352 2/20 0.42
NPC1 O15118 1/20 0.42
TSHR P16473 1/20 0.42
CLK1 P49759 1/20 0.42
RAB9A P51151 1/20 0.42
LMNA P02545 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CNR1 P21554 1/20 0.41
ACHE P22303 1/20 0.41
HTR2B P41595 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
Hydrochloric Acid SCHEMBL6133533 0.99 PTGS2 (0.48) PTGS2IDO1CHRM1ADORA2AADORA1
SCHEMBL6133403 0.95 PTGS2 (0.47) PTGS2IDO1HIF1AALDH1A1NPC1
Hydrochloric Acid SCHEMBL6133420 0.94 PTGS2 (0.47) PTGS2IDO1HIF1AALDH1A1NPC1
SCHEMBL6133970 0.91 PTGS2 (0.47) PTGS2ALDH1A1NPC1RAB9ALMNA
Hydrochloric Acid SCHEMBL6133484 0.87 ALDH1A1 (0.49) PTGS2ADORA2AADORA1PIK3CGALDH1A1
SCHEMBL6133495 0.86 ALDH1A1 (0.51) PTGS2ADORA2AADORA1ALDH1A1NPC1
SCHEMBL6133506 0.85 KDM5B (0.49) ADORA2AADORA1ALDH1A1NPC1LMNA
Hydrochloric Acid SCHEMBL6134178 0.84 ALDH1A1 (0.47) PTGS2ADORA2AADORA1HIF1AALDH1A1
SCHEMBL6133360 0.84 PTGS2 (0.42) PTGS2ADORA2AADORA1ALDH1A1LMNA
Hydrochloric Acid SCHEMBL6133940 0.84 ALDH1A1 (0.61) PTGS2ADORA2AADORA1ALDH1A1NPC1

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 PTGS2 1262/4885IDO1 1092/4885CHRM1 561/4885

“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.