SCHEMBL6006630

SCHEMBL6006630

[NH]CNS(=O)(=O)c1cccc2ccccc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN1A P35498 2/20 0.59
SCN2A Q99250 2/20 0.59
SCN3A Q9NY46 2/20 0.59
KDM4E B2RXH2 1/20 0.59
ALDH1A1 P00352 1/20 0.59
CYP1A2 P05177 1/20 0.59
CYP3A4 P08684 1/20 0.59
CYP2C9 P11712 1/20 0.59
CYP2C19 P33261 1/20 0.59
HSD17B10 Q99714 1/20 0.59
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA9 Q16790 1/20 0.52
F2 P00734 1/20 0.51
PRSS1 P07477 1/20 0.51
PRSS2 P07478 1/20 0.51
PRSS3 P35030 1/20 0.51
GBA1 P04062 1/20 0.51
SLC6A9 P48067 4/20 0.50
HCRTR1 O43613 1/20 0.50

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
SCHEMBL6006413 0.86 CYP3A4 (0.64) SCN1ASCN2ASCN3AKDM4EALDH1A1
SCHEMBL6006634 0.84 CYP3A4 (0.69) SCN1ASCN2ASCN3AKDM4EALDH1A1
SCHEMBL207375 0.82 SCN1A (0.59) SCN1ASCN2ASCN3AKDM4EALDH1A1
SCHEMBL2878189 0.82 SCN1A (0.59) SCN1ASCN2ASCN3AKDM4EALDH1A1
SCHEMBL607517 0.81 CYP3A4 (0.66) SCN1ASCN2ASCN3AKDM4EALDH1A1
SCHEMBL4263470 0.79 CYP3A4 (0.78) SCN1ASCN2ASCN3AKDM4EALDH1A1
SCHEMBL8645259 0.79 SCN1A (0.56) SCN1ASCN2ASCN3AKDM4EALDH1A1
SCHEMBL3680789 0.79 CYP3A4 (0.64) SCN1ASCN2ASCN3AKDM4EALDH1A1
SCHEMBL11176407 0.79 CYP3A4 (0.64) SCN1ASCN2ASCN3AKDM4EALDH1A1
SCHEMBL20026077 0.79 NSD2 (0.70) SCN1ASCN2ASCN3AKDM4EALDH1A1

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 SCN1A 868/4885SCN2A 765/4885SCN3A 678/4885

“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.