SCHEMBL6006907

SCHEMBL6006907

CN([C]=O)n1nnc2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 11/20 0.47
KEAP1 Q14145 1/20 0.47
ALDH1A1 P00352 2/20 0.43
MAPT P10636 2/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 1/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
POLB P06746 2/20 0.43
MAPK1 P28482 1/20 0.43
ATM Q13315 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
THPO P40225 1/20 0.43
CYP4Z1 Q86W10 1/20 0.43
DGAT1 O75907 1/20 0.40
MGAM O43451 1/20 0.39
F2 P00734 1/20 0.39

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
SCHEMBL6005157 0.83 SLC9A1 (0.47) SLC9A1KEAP1ALDH1A1MAPTKMT2A
SCHEMBL28863784 0.80 SLC9A1 (0.55) SLC9A1KEAP1ALDH1A1MAPTKMT2A
SCHEMBL31130802 0.80 SLC9A1 (0.55) SLC9A1KEAP1ALDH1A1MAPTKMT2A
SCHEMBL11269427 0.74 POLB (0.49) SLC9A1KEAP1ALDH1A1MAPTKMT2A
SCHEMBL3102921 0.72 SLC9A1 (0.50) SLC9A1KEAP1ALDH1A1MAPTKMT2A
SCHEMBL23790174 0.71 SLC9A1 (0.50) SLC9A1KEAP1ALDH1A1MAPTKMT2A
SCHEMBL3675874 0.71 SLC9A1 (0.50) SLC9A1KEAP1ALDH1A1MAPTKMT2A
SCHEMBL242903 0.71 SLC9A1 (0.55) SLC9A1KEAP1ALDH1A1MAPTNPSR1
SCHEMBL24398310 0.71 SLC9A1 (0.55) SLC9A1KEAP1ALDH1A1MAPTNPSR1
SCHEMBL5800991 0.71 SLC9A1 (0.50) SLC9A1KEAP1ALDH1A1MAPTKMT2A

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 SLC9A1 390/4885KEAP1 176/4885ALDH1A1 228/4885

“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.