SCHEMBL6006528

SCHEMBL6006528

S=Cn1cnc2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.48
HTT P42858 4/20 0.47
CYP11B1 P15538 3/20 0.43
CYP11B2 P19099 3/20 0.43
POLB P06746 1/20 0.43
TNF P01375 1/20 0.43
FGFR1 P11362 2/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
LMNA P02545 2/20 0.41
HSD17B10 Q99714 2/20 0.41
MEN1 O00255 1/20 0.41
HPGD P15428 1/20 0.41
KMT2A Q03164 1/20 0.41
STAT6 P42226 1/20 0.41
MAPK1 P28482 1/20 0.40

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
SCHEMBL10889581 0.83 TDP1 (0.52) TDP1HTTCYP11B1CYP11B2POLB
SCHEMBL7804822 0.83 TDP1 (0.52) TDP1HTTCYP11B1CYP11B2POLB
SCHEMBL718648 0.79 TDP1 (0.53) TDP1HTTCYP11B1CYP11B2POLB
SCHEMBL222528 0.79 HTT (0.52) TDP1HTTCYP11B1CYP11B2POLB
SCHEMBL30371909 0.79 TDP1 (0.53) TDP1HTTCYP11B1CYP11B2POLB
SCHEMBL1344383 0.79 TDP1 (0.48) TDP1HTTCYP11B1CYP11B2POLB
Bromide SCHEMBL38655438 0.78 TDP1 (0.52) TDP1HTTCYP11B1CYP11B2POLB
SCHEMBL28590017 0.75 TDP1 (0.44) TDP1HTTCYP11B1CYP11B2POLB
SCHEMBL3553238 0.73 HSD17B10 (0.53) TDP1HTTCYP11B1CYP11B2POLB
SCHEMBL537903 0.73 HSD17B10 (0.53) TDP1HTTCYP11B1CYP11B2POLB

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.