SCHEMBL6006431

SCHEMBL6006431

O=CNCn1ncc2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RECQL P46063 2/20 0.51
KMO O15229 1/20 0.50
CYP1A2 P05177 1/20 0.47
DAO P14920 1/20 0.43
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ADRA2A P08913 1/20 0.41
TSHR P16473 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
POLB P06746 4/20 0.40
HSD17B10 Q99714 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
P2RX7 Q99572 1/20 0.37
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL6008598 0.83 RECQL (0.51) RECQLKMOCYP1A2DAONPC1
SCHEMBL7332016 0.78 RECQL (0.53) RECQLKMOCYP1A2DAONPC1
SCHEMBL3781001 0.78 KMO (0.59) RECQLKMOCYP1A2DAONPC1
SCHEMBL29955181 0.78 KMO (0.59) RECQLKMOCYP1A2DAONPC1
SCHEMBL23665140 0.77 RECQL (0.56) RECQLKMOCYP1A2DAONPC1
SCHEMBL29796402 0.77 RECQL (0.56) RECQLKMOCYP1A2DAONPC1
Hydrochloric Acid SCHEMBL29687779 0.76 RECQL (0.54) RECQLKMOCYP1A2DAONPC1
SCHEMBL29328565 0.75 KMO (0.56) RECQLKMOCYP1A2DAONPC1
SCHEMBL9934408 0.74 RECQL (0.61) RECQLKMOCYP1A2DAONPC1
SCHEMBL323712 0.73 RECQL (0.51) RECQLKMOCYP1A2DAONPC1

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 RECQL 4070/4885KMO 254/4885CYP1A2 68/4885

“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.