SCHEMBL6005181

SCHEMBL6005181

S=[C]c1cccc2c1Nc1ccccc1S2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOX1 Q9Y5S8 10/20 0.53
MAPT P10636 7/20 0.53
GAA P10253 6/20 0.53
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
SNCA P37840 3/20 0.53
BCHE P06276 2/20 0.53
ACHE P22303 2/20 0.53
TDP1 Q9NUW8 2/20 0.53
ALOX15 P16050 2/20 0.53
CYP1A2 P05177 1/20 0.53
POLB P06746 1/20 0.53
CYP3A4 P08684 1/20 0.53
ADORA3 P0DMS8 1/20 0.53
ALOX12 P18054 1/20 0.53
MAOA P21397 1/20 0.53
CNR1 P21554 1/20 0.53
PTGS1 P23219 1/20 0.53
SLC6A2 P23975 1/20 0.53
HTR2C P28335 1/20 0.53

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
SCHEMBL2583563 0.83 NOX1 (0.53) NOX1MAPTGAAMEN1KMT2A
SCHEMBL1596912 0.83 NOX1 (0.53) NOX1MAPTGAAMEN1KMT2A
SCHEMBL30274184 0.77 NOX1 (0.67) NOX1MAPTGAAMEN1KMT2A
SCHEMBL10530491 0.77 NOX1 (0.67) NOX1MAPTGAAMEN1KMT2A
SCHEMBL1868575 0.77 NOX1 (0.59) NOX1MAPTGAAMEN1KMT2A
SCHEMBL194062 0.74 NOX1 (0.61) NOX1MAPTGAAMEN1KMT2A
SCHEMBL31331504 0.74 NOX1 (0.61) NOX1MAPTGAAMEN1KMT2A
SCHEMBL560873 0.73 NOX1 (0.59) NOX1MAPTGAAMEN1KMT2A
SCHEMBL290846 0.73 NOX1 (0.59) NOX1MAPTGAAMEN1KMT2A
SCHEMBL4534080 0.73 NOX1 (0.59) NOX1MAPTGAAMEN1KMT2A

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-1207161-B1 NOVEL ISOINDOLE DERIVATIVES BANYU PHARMA CO LTD (JP) 2006-01-18 EP disclosed
US-6777410-B2 SUCH AS 9-(2-METHOXYPHENYL)-3-(1-METHYLETHYL)-(1,3)OXAZOLO-(2,3)ISOINDOLE-2,5(3H,9H)-DIONE; DIABETES AND COMPLICATIONS; OBESITY BANYU PHARMACEUTICAL CO., LTD. (JP) 2004-08-17 US disclosed
US-20040053923-A1 Novel isoindole derivatives BANYU PHARMACEUTICAL CO., LTD. 2004-03-18 US disclosed
US-6608098-B1 Diabetes or obesity, 2-(4-(3-isopropyl-2,5-dioxo-2,3-dihydro-1H-pyrrolo(2,1-a) isoindol-9(5H)-yl)phenoxy)-N-propylacetamide BANYU PHARMACEUTICAL CO., LTD. (JP) 2003-08-19 US disclosed
EP-1207161-A1 NOVEL ISOINDOLE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2002-05-22 EP 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-20040053923-A1 Novel isoindole derivatives GPR119, SLC5A2, SLC5A1 NOX1 115/4885MAPT 4279/4885GAA 2117/4885

“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.