SCHEMBL6006480

SCHEMBL6006480

O=[C]NCc1cc2ccccc2nn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.39
ALDH1A1 P00352 6/20 0.36
MAPT P10636 2/20 0.36
HPGD P15428 2/20 0.36
GLA P06280 1/20 0.36
ACHE P22303 1/20 0.36
KMT2A Q03164 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
PDE2A O00408 2/20 0.33
PDE3B Q13370 2/20 0.33
PDE3A Q14432 2/20 0.33
NQO2 P16083 1/20 0.31
GAA P10253 2/20 0.31
NPC1 O15118 2/20 0.31
HTT P42858 2/20 0.31
RAB9A P51151 2/20 0.31
POLB P06746 1/20 0.31
LMNA P02545 1/20 0.31
GFER P55789 1/20 0.31
MEN1 O00255 1/20 0.30

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
SCHEMBL6008488 0.83 KDM4E (0.39) KDM4EALDH1A1MAPTHPGDGLA
SCHEMBL6008471 0.76 HDAC1 (0.48) KDM4EALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL3071109 0.76 ALDH1A1 (0.50) KDM4EALDH1A1MAPTHPGDGLA
SCHEMBL9934343 0.74 KDM4E (0.46) KDM4EALDH1A1MAPTHPGDGLA
SCHEMBL3063629 0.74 KDM4E (0.48) KDM4EALDH1A1MAPTHPGDGLA
SCHEMBL3159453 0.72 CYP1A2 (0.52) KDM4EALDH1A1HPGDSMN1; SMN2NPC1
SCHEMBL1998971 0.72 KDM4E (0.43) KDM4EALDH1A1MAPTHPGDGLA
SCHEMBL6006695 0.71 PDE10A (0.56) KDM4EALDH1A1MAPTHPGDKMT2A
SCHEMBL19952669 0.71 KDM4E (0.46) KDM4EALDH1A1MAPTHPGDGLA
SCHEMBL9591117 0.71 KMT2A (0.48) KDM4EALDH1A1MAPTHPGDGLA

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 KDM4E 1370/4885ALDH1A1 228/4885MAPT 4279/4885

“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.