SCHEMBL6008548

SCHEMBL6008548

S=[C]c1cc2ccccc2nn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.46
ALDH1A1 P00352 6/20 0.44
HPGD P15428 3/20 0.44
MAPT P10636 2/20 0.44
GLA P06280 2/20 0.44
ACHE P22303 1/20 0.44
NQO2 P16083 1/20 0.38
GPR3 P46089 1/20 0.36
CYP1A2 P05177 1/20 0.35
GAA P10253 3/20 0.35
PDPK1 O15530 1/20 0.34
HTR3A P46098 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
STAT3 P40763 1/20 0.34
KMT2A Q03164 2/20 0.33
NPC1 O15118 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
PTBP1 P26599 1/20 0.33
RAB9A P51151 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
SCHEMBL2014397 0.79 ALDH1A1 (0.47) KDM4EALDH1A1HPGDMAPTGLA
SCHEMBL224647 0.79 KDM4E (0.46) KDM4EALDH1A1HPGDMAPTGLA
SCHEMBL241706 0.71 ALDH1A1 (0.50) KDM4EALDH1A1HPGDMAPTGLA
SCHEMBL329496 0.71 KDM4E (0.50) KDM4EALDH1A1HPGDMAPTGLA
SCHEMBL5483645 0.70 ALDH1A1 (0.55) KDM4EALDH1A1HPGDMAPTGLA
SCHEMBL31115164 0.70 ALDH1A1 (0.55) KDM4EALDH1A1HPGDMAPTGLA
SCHEMBL3059086 0.70 GRM5 (0.53) KDM4EALDH1A1HPGDMAPTGLA
SCHEMBL30248459 0.69 ALDH1A1 (0.52) KDM4EALDH1A1HPGDMAPTGLA
SCHEMBL11173734 0.69 ALDH1A1 (0.52) KDM4EALDH1A1HPGDMAPTGLA
SCHEMBL6008488 0.67 KDM4E (0.39) KDM4EALDH1A1HPGDMAPTGLA

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 228/4885HPGD 739/4885

“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.