SCHEMBL6006695

SCHEMBL6006695

O=[C]NCc1cnc2ccccc2n1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 6/20 0.56
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
MAPT P10636 1/20 0.53
FAAH O00519 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
HIF1A Q16665 1/20 0.41
KDM4E B2RXH2 3/20 0.41
GAA P10253 2/20 0.41
POLB P06746 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
HSD17B10 Q99714 1/20 0.40
HSP90AA1 P07900 1/20 0.39
HSP90AB1 P08238 1/20 0.39
PDGFRB P09619 1/20 0.39
PDGFRA P16234 1/20 0.39

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
SCHEMBL6006477 0.83 PDE10A (0.56) PDE10AMEN1KMT2AMAPTFAAH
SCHEMBL6008471 0.77 HDAC1 (0.48) MAPTFAAHCYP1A2KDM4EGAA
SCHEMBL9733209 0.77 PDE10A (0.62) PDE10AMEN1KMT2AMAPTCYP1A2
SCHEMBL2646721 0.74 PDE10A (0.69) PDE10AMEN1KMT2AMAPTCYP1A2
SCHEMBL5527742 0.74 PDE10A (0.69) PDE10AMEN1KMT2AMAPTCYP1A2
SCHEMBL3159453 0.73 CYP1A2 (0.52) FAAHCYP1A2KDM4EALDH1A1HPGD
SCHEMBL12066225 0.73 PDE10A (1.00) PDE10AMEN1KMT2AMAPT
SCHEMBL24449038 0.72 PDE10A (0.56) PDE10AMEN1KMT2AMAPTCYP1A2
SCHEMBL6004967 0.71 FDPS (0.36) PDE10AMAPTCYP1A2KDM4EGAA
SCHEMBL6006480 0.71 KDM4E (0.39) MEN1KMT2AMAPTCYP1A2KDM4E

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 PDE10A 2086/4885MEN1 4688/4885KMT2A 2387/4885

“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.