SCHEMBL5561827

SCHEMBL5561827

CCOC(=O)Nc1nc2c(OC)ccc(I)c2s1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.58
HSD17B10 Q99714 5/20 0.58
SMN1; SMN2 Q16637 4/20 0.58
TSHR P16473 2/20 0.58
LMNA P02545 2/20 0.58
ALDH1A1 P00352 5/20 0.57
MAPT P10636 3/20 0.55
KDM4E B2RXH2 5/20 0.53
RAB9A P51151 3/20 0.50
CHRM4 P08173 4/20 0.49
DUSP3 P51452 1/20 0.49
NPC1 O15118 1/20 0.49
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
POLB P06746 1/20 0.48
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47

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
SCHEMBL3053652 0.89 ALDH1A1 (0.59) HPGDHSD17B10SMN1; SMN2TSHRLMNA
SCHEMBL12957371 0.89 MAPT (0.60) HPGDHSD17B10SMN1; SMN2TSHRLMNA
SCHEMBL1040609 0.85 SMN1; SMN2 (0.51) HPGDHSD17B10SMN1; SMN2TSHRLMNA
SCHEMBL7147592 0.79 KMT2A (0.64) HPGDHSD17B10SMN1; SMN2TSHRLMNA
SCHEMBL31256928 0.78 CHRM4 (0.61) HPGDHSD17B10TSHRLMNAALDH1A1
SCHEMBL5365518 0.77 ALDH1A1 (0.52) HPGDHSD17B10SMN1; SMN2TSHRLMNA
SCHEMBL5562345 0.76 SMN1; SMN2 (0.58) HPGDHSD17B10SMN1; SMN2TSHRLMNA
SCHEMBL5561438 0.75 SMN1; SMN2 (0.47) HPGDHSD17B10SMN1; SMN2TSHRLMNA
SCHEMBL3050636 0.74 ALDH1A1 (0.58) HPGDHSD17B10SMN1; SMN2TSHRLMNA
SCHEMBL3053396 0.73 ALDH1A1 (0.54) HPGDHSD17B10SMN1; SMN2TSHRLMNA

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1615919-B1 7-([1,4]DIOXAN-2-YL)-BENZOTHIAZOLE DERIVATIVES AS ADENOSINE RECEPTOR LIGANDS HOFFMANN LA ROCHE (CH) 2007-08-22 EP disclosed
EP-1615919-A1 7-([1,4]DIOXAN-2-YL)-BENZOTHIAZOLE DERIVATIVES AS ADENOSINE RECEPTOR LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2006-01-18 EP disclosed
US-6872833-B2 Adenosine receptor ligands HOFFMANN-LA ROCHE INC. (US) 2005-03-29 US disclosed
WO-2004089949-A1 7-([1,4]DIOXAN-2-YL)-BENZOTHIAZOLE DERIVATIVES AS ADENOSINE RECEPTOR LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2004-10-21 WO disclosed
US-20040204584-A1 ADENOSINE RECEPTOR LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2004-10-14 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-20040204584-A1 ADENOSINE RECEPTOR LIGANDS ADORA1, ADORA2A, ADORA3 HPGD 2639/4885HSD17B10 3637/4885SMN1; SMN2 3519/4885

“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.