SCHEMBL6005165

SCHEMBL6005165

S=[C]NCN1CSc2ccccc21

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.34
HDAC6 Q9UBN7 2/20 0.34
ALDH1A1 P00352 5/20 0.33
MAPT P10636 4/20 0.33
TP53 P04637 2/20 0.32
KDM4E B2RXH2 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
POLB P06746 1/20 0.32
LMNA P02545 1/20 0.32
MAPK1 P28482 1/20 0.32
GFER P55789 1/20 0.32
NOTUM Q6P988 1/20 0.30
KDM1A O60341 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
SCHEMBL6006411 0.84 HDAC1 (0.36) HDAC1HDAC6ALDH1A1MAPTTP53
SCHEMBL30456635 0.78 HDAC1 (0.36) HDAC1HDAC6ALDH1A1MAPTTP53
SCHEMBL9842125 0.75 MAPT (0.35) HDAC1HDAC6ALDH1A1MAPTTP53
SCHEMBL11995110 0.75 HDAC1 (0.37) HDAC1HDAC6ALDH1A1MAPTTP53
SCHEMBL29277422 0.73 SLC22A12 (0.34) HDAC1HDAC6ALDH1A1MAPTTP53
SCHEMBL3795637 0.72 KDM1A (0.40) HDAC1HDAC6ALDH1A1MAPTTP53
SCHEMBL9842393 0.72 NOTUM (0.39) HDAC1HDAC6ALDH1A1MAPTTP53
SCHEMBL9842129 0.72 HDAC1 (0.35) HDAC1HDAC6ALDH1A1MAPTTP53
SCHEMBL28239673 0.72 HDAC1 (0.35) HDAC1HDAC6ALDH1A1MAPTTP53
SCHEMBL9842388 0.72 HDAC1 (0.40) HDAC1HDAC6ALDH1A1MAPTTP53

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 HDAC1 86/4885HDAC6 65/4885ALDH1A1 228/4885

“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.