SCHEMBL6004967

SCHEMBL6004967

O=[C]NCc1ncc2ccccc2n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.36
KDM4E B2RXH2 2/20 0.35
GPR3 P46089 1/20 0.35
EGFR P00533 1/20 0.35
CYP1A2 P05177 3/20 0.34
HTR3A P46098 1/20 0.33
HRH4 Q9H3N8 1/20 0.33
MAP3K5 Q99683 1/20 0.33
PCSK9 Q8NBP7 1/20 0.33
ROCK1 Q13464 1/20 0.33
HPGD P15428 2/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
NPC1 O15118 1/20 0.33
TP53 P04637 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL6008578 0.83 KDM4E (0.39) FDPSKDM4EGPR3EGFRCYP1A2
SCHEMBL19006103 0.77 NCF1 (0.41) FDPSKDM4EGPR3EGFRCYP1A2
SCHEMBL2261383 0.75 TAAR1 (0.44) KDM4ECYP1A2HPGDALDH1A1MAPT
SCHEMBL9934866 0.74 KDM4E (0.42) FDPSKDM4EGPR3EGFRCYP1A2
SCHEMBL6008471 0.72 HDAC1 (0.48) KDM4ECYP1A2HPGDALDH1A1MAPT
SCHEMBL3159453 0.72 CYP1A2 (0.52) KDM4ECYP1A2HPGDALDH1A1NPC1
SCHEMBL6006419 0.72 KCNH3 (0.33) ALDH1A1SMN1; SMN2
SCHEMBL6006695 0.71 PDE10A (0.56) KDM4ECYP1A2HPGDALDH1A1MAPT
SCHEMBL1514912 0.71 CYP1A2 (0.42) KDM4EGPR3EGFRCYP1A2HTR3A
SCHEMBL6597830 0.71 SORD (0.47) FDPSKDM4EGPR3EGFRCYP1A2

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 FDPS 4359/4885KDM4E 1370/4885GPR3 577/4885

“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.