SCHEMBL6007639

SCHEMBL6007639

S=Cn1cnc2cncnc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.41
HDAC1 Q13547 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
LTA4H P09960 1/20 0.35
CYP1A2 P05177 6/20 0.34
ALDH1A1 P00352 5/20 0.34
CYP3A4 P08684 5/20 0.34
CYP2C19 P33261 4/20 0.34
TSHR P16473 4/20 0.34
CYP2C9 P11712 4/20 0.34
LMNA P02545 3/20 0.34
MEN1 O00255 1/20 0.34
HBB P68871 1/20 0.34
KMT2A Q03164 1/20 0.34
MKNK2 Q9HBH9 1/20 0.34
USP2 O75604 2/20 0.33
CLK4 Q9HAZ1 2/20 0.31
CYP2D6 P10635 1/20 0.31
ABL1 P00519 1/20 0.31
SRC P12931 1/20 0.31

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
Pyrimidine SCHEMBL28360810 0.91 FDPS (0.36) FDPSHDAC1HDAC6LTA4HCYP1A2
SCHEMBL2451018 0.80 FDPS (0.44) FDPSHDAC1HDAC6LTA4HCYP1A2
SCHEMBL434034 0.80 FDPS (0.44) FDPSHDAC1HDAC6LTA4HCYP1A2
SCHEMBL10726415 0.74 FDPS (0.40) FDPSHDAC1HDAC6LTA4HCYP1A2
SCHEMBL28041939 0.74 FDPS (0.40) FDPSHDAC1HDAC6LTA4HCYP1A2
SCHEMBL2120550 0.74 FDPS (0.45) FDPSHDAC1HDAC6LTA4HCYP1A2
SCHEMBL7102527 0.73 FDPS (0.39) FDPSHDAC1HDAC6LTA4HCYP1A2
SCHEMBL28340215 0.72 FDPS (0.44) FDPSHDAC1HDAC6LTA4HCYP1A2
SCHEMBL3697841 0.72 MKNK2 (0.49) FDPSHDAC1HDAC6LTA4HCYP1A2
SCHEMBL5633 0.71 FDPS (0.42) FDPSHDAC1HDAC6LTA4HCYP1A2

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 FDPS 4359/4885HDAC1 86/4885HDAC6 65/4885

“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.