SCHEMBL6006476

SCHEMBL6006476

CN([C]=O)n1cnc2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.44
GAA P10253 1/20 0.44
PKM P14618 1/20 0.44
TDP1 Q9NUW8 1/20 0.42
HTT P42858 3/20 0.41
HPGD P15428 2/20 0.39
HSD17B10 Q99714 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
POLB P06746 2/20 0.39
ALDH3A1 P30838 1/20 0.39
NOD1 Q9Y239 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAPK1 P28482 1/20 0.39
APAF1 O14727 1/20 0.38
CYP11B1 P15538 2/20 0.38
CYP11B2 P19099 2/20 0.38
TNF P01375 1/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL6006563 0.83 SMN1; SMN2 (0.44) SMN1; SMN2GAAPKMTDP1HTT
SCHEMBL1663230 0.80 TDP1 (0.48) SMN1; SMN2GAAPKMTDP1HTT
Fluoride SCHEMBL7485384 0.77 SMN1; SMN2 (0.45) SMN1; SMN2GAAPKMTDP1HTT
SCHEMBL6596781 0.76 SMN1; SMN2 (0.44) SMN1; SMN2GAAPKMTDP1HTT
SCHEMBL1516437 0.75 SMN1; SMN2 (0.54) SMN1; SMN2PKMHTTHPGDHSD17B10
SCHEMBL1128585 0.75 GAA (0.66) SMN1; SMN2GAAPKMTDP1HTT
SCHEMBL16448135 0.73 SMN1; SMN2 (0.49) SMN1; SMN2TDP1HPGDHSD17B10MEN1
SCHEMBL6955711 0.73 TDP1 (0.50) SMN1; SMN2PKMTDP1HTTHPGD
Fluoride SCHEMBL7484762 0.71 TDP1 (0.44) SMN1; SMN2TDP1HTTHPGDHSD17B10
SCHEMBL3723869 0.70 AGER (0.51) SMN1; SMN2PKMTDP1HTTHPGD

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 9 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
EP-1063235-B1 BENZOFURYLPYRONE DERIVATIVES TEIJIN LTD (JP) 2004-05-12 EP disclosed
US-20040053923-A1 Novel isoindole derivatives BANYU PHARMACEUTICAL CO., LTD. 2004-03-18 US disclosed
US-20030186976-A1 Benzofurylpyrone derivatives TEIJIN LIMITED, MICROBIAL CHEMISTRY RESEARCH FOUNDATION 2003-10-02 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
US-6589984-B1 Blood cholesterol and triglycerides (TG) themselves are generally insoluble in blood, and they exist as lipoproteins by binding with apolipoproteins. In the body, triglycerides are biosynthesized primarily in the liver from acetyl CoA as TEIJIN LIMITED (JP) 2003-07-08 US disclosed
EP-1207161-A1 NOVEL ISOINDOLE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2002-05-22 EP disclosed
EP-1063235-A1 BENZOFURYLPYRONE DERIVATIVES TEIJIN LIMITED (JP) 2000-12-27 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 (2 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-20030186976-A1 Benzofurylpyrone derivatives PLIN5, ACSL5, PLIN1 SMN1; SMN2 4639/4885GAA 1420/4885PKM 2135/4885
US-20040053923-A1 Novel isoindole derivatives GPR119, SLC5A2, SLC5A1 SMN1; SMN2 4010/4885GAA 2117/4885PKM 2376/4885

“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.