SCHEMBL6008592

SCHEMBL6008592

S=[C]NCc1n[nH]c2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.44
GAA P10253 3/20 0.44
PDPK1 O15530 1/20 0.44
CYP3A4 P08684 1/20 0.44
MAPK10 P53779 4/20 0.42
ALDH1A1 P00352 4/20 0.42
IDO1 P14902 3/20 0.42
ALPL P05186 1/20 0.42
HPGD P15428 1/20 0.42
TTK P33981 1/20 0.42
CYP1A2 P05177 1/20 0.39
YTHDC1 Q96MU7 1/20 0.38
STAT3 P40763 1/20 0.38
HIF1A Q16665 1/20 0.38
TRPA1 O75762 1/20 0.37
HSD17B10 Q99714 1/20 0.37
LRRK2 Q5S007 2/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
TP53 P04637 1/20 0.37

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
SCHEMBL1259223 0.83 KDM4E (0.45) KDM4EGAAPDPK1CYP3A4MAPK10
SCHEMBL20417180 0.80 KDM4E (0.48) KDM4EGAAPDPK1CYP3A4MAPK10
SCHEMBL18901282 0.79 KDM4E (0.47) KDM4EGAAPDPK1CYP3A4MAPK10
SCHEMBL10061629 0.79 YTHDC1 (0.47) KDM4EGAAPDPK1CYP3A4MAPK10
SCHEMBL13557136 0.76 KDM4E (0.44) KDM4EGAAPDPK1CYP3A4MAPK10
SCHEMBL19954191 0.75 KDM4E (0.43) KDM4EGAAPDPK1CYP3A4MAPK10
SCHEMBL25231678 0.73 KDM4E (0.49) KDM4EGAAMAPK10ALDH1A1IDO1
SCHEMBL3061437 0.72 KDM4E (0.52) KDM4EGAAPDPK1CYP3A4MAPK10
SCHEMBL254885 0.72 KDM4E (0.52) KDM4EGAAPDPK1CYP3A4MAPK10
SCHEMBL2227955 0.72 KDM4E (0.52) KDM4EGAAPDPK1CYP3A4MAPK10

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 1370/4885GAA 2117/4885PDPK1 755/4885

“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.