SCHEMBL6007602

SCHEMBL6007602

O=[C]NCNC(=O)c1cccc2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 2/20 0.56
MMP3 P08254 1/20 0.56
PLK1 P53350 1/20 0.54
HPGD P15428 4/20 0.54
HDAC3 O15379 1/20 0.52
HDAC4 P56524 1/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC7 Q8WUI4 1/20 0.52
HDAC2 Q92769 1/20 0.52
HDAC10 Q969S8 1/20 0.52
HDAC11 Q96DB2 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
HDAC9 Q9UKV0 1/20 0.52
HDAC5 Q9UQL6 1/20 0.52
ALDH1A1 P00352 3/20 0.49
GBA1 P04062 1/20 0.48
DEGS1 O15121 1/20 0.48
NR4A1 P22736 1/20 0.47
NR4A2 P43354 1/20 0.47
NR4A3 Q92570 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
SCHEMBL6007633 0.86 HPGD (0.59) HDAC8MMP3PLK1HPGDHDAC3
SCHEMBL7743035 0.81 PLK1 (0.62) HDAC8MMP3PLK1HPGDHDAC3
SCHEMBL4721719 0.80 HDAC8 (0.62) HDAC8MMP3PLK1HPGDHDAC3
SCHEMBL14855315 0.78 HDAC8 (0.65) HDAC8MMP3PLK1HPGDHDAC3
SCHEMBL6006502 0.77 HDAC8 (0.54) HDAC8MMP3PLK1HPGDHDAC3
SCHEMBL2117675 0.77 PLK1 (0.66) HDAC8MMP3PLK1HPGDHDAC3
SCHEMBL27419359 0.76 PLK1 (0.60) HDAC8MMP3PLK1HPGDHDAC3
SCHEMBL16492625 0.76 PLK1 (0.65) HDAC8MMP3PLK1HPGDHDAC3
SCHEMBL9536835 0.76 PLK1 (0.60) HDAC8MMP3PLK1HPGDHDAC3
SCHEMBL10902462 0.76 HPGD (0.66) HDAC8MMP3PLK1HPGDHDAC3

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 HDAC8 1142/4885MMP3 1073/4885PLK1 4437/4885

“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.