SCHEMBL6006482

SCHEMBL6006482

O=CNCn1cnc2ccccc21

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.58
HTT P42858 3/20 0.53
CYP11B1 P15538 5/20 0.51
CYP11B2 P19099 5/20 0.51
TNF P01375 1/20 0.51
KDM4E B2RXH2 1/20 0.51
NPC1 O15118 1/20 0.51
EGLN3 Q9H6Z9 1/20 0.50
SMN1; SMN2 Q16637 4/20 0.49
LMNA P02545 3/20 0.49
GGPS1 O95749 1/20 0.48
FDPS P14324 1/20 0.48
MAPK1 P28482 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
APAF1 O14727 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
SCHEMBL6852915 0.84 TDP1 (0.64) TDP1HTTCYP11B1CYP11B2TNF
SCHEMBL6006567 0.83 TDP1 (0.58) TDP1HTTCYP11B1CYP11B2TNF
SCHEMBL6849665 0.81 TDP1 (0.60) TDP1HTTCYP11B1CYP11B2TNF
SCHEMBL4070365 0.78 TDP1 (0.70) TDP1HTTCYP11B1CYP11B2TNF
SCHEMBL29958345 0.77 TDP1 (0.63) TDP1HTTCYP11B1CYP11B2TNF
SCHEMBL2140382 0.77 TDP1 (0.63) TDP1HTTCYP11B1CYP11B2TNF
SCHEMBL8327961 0.77 TDP1 (0.63) TDP1HTTCYP11B1CYP11B2TNF
SCHEMBL3966477 0.76 TDP1 (0.73) TDP1HTTCYP11B1CYP11B2TNF
Hydrochloric Acid SCHEMBL6948782 0.76 TDP1 (0.61) TDP1HTTCYP11B1CYP11B2TNF
SCHEMBL305356 0.75 EGLN3 (0.60) TDP1HTTCYP11B1CYP11B2TNF

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 TDP1 4718/4885HTT 3195/4885CYP11B1 7/4885

“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.