SCHEMBL6005017

SCHEMBL6005017

S=[C]NCN1c2ccccc2Sc2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 11/20 0.45
PTGS1 P23219 3/20 0.45
PTGS2 P35354 2/20 0.45
PIM1 P11309 1/20 0.45
LMNA P02545 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
CYP2D6 P10635 3/20 0.42
SLC22A1 O15245 2/20 0.42
PRNP P04156 2/20 0.42
CYP1A2 P05177 2/20 0.42
CHRM2 P08172 2/20 0.42
CHRM4 P08173 2/20 0.42
HTR1A P08908 2/20 0.42
CHRM5 P08912 2/20 0.42
ADRA2A P08913 2/20 0.42
CHRM1 P11229 2/20 0.42
DRD2 P14416 2/20 0.42
ADRA2B P18089 2/20 0.42
ADRA2C P18825 2/20 0.42

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
SCHEMBL6008164 0.82 MEN1 (0.47) KDM1APTGS1PTGS2PIM1LMNA
SCHEMBL10690359 0.69 PIM1 (0.63) KDM1APTGS1PTGS2PIM1LMNA
SCHEMBL293951 0.69 KDM1A (0.61) KDM1APTGS1PTGS2PIM1LMNA
SCHEMBL29557425 0.69 KDM1A (0.61) KDM1APTGS1PTGS2PIM1LMNA
SCHEMBL1581710 0.69 KDM1A (0.53) KDM1APTGS1PTGS2PIM1LMNA
SCHEMBL9077379 0.69 PTGS1 (0.58) KDM1APTGS1PTGS2PIM1LMNA
SCHEMBL2601865 0.68 KMT2A (0.69) KDM1APTGS1PTGS2PIM1LMNA
SCHEMBL12892562 0.67 HDAC6 (0.66) KDM1APTGS1PTGS2PIM1LMNA
SCHEMBL208025 0.67 PIM1 (0.79) KDM1APIM1LMNAMEN1KMT2A
SCHEMBL10654066 0.67 PIM1 (0.55) KDM1APIM1LMNAMEN1KMT2A

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 KDM1A 959/4885PTGS1 676/4885PTGS2 882/4885

“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.