SCHEMBL6008542

SCHEMBL6008542

S=Cc1nncc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 5/20 0.47
▸ RAB9A P51151 5/20 0.47
▸ TP53 P04637 4/20 0.47
▸ SMN1; SMN2 Q16637 4/20 0.47
▸ KDM4E B2RXH2 3/20 0.47
▸ LMNA P02545 3/20 0.47
▸ ALDH1A1 P00352 3/20 0.47
▸ CYP3A4 P08684 2/20 0.47
▸ GOT1 P17174 2/20 0.47
▸ MPO P05164 2/20 0.47
▸ PKM P14618 2/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ MAOA P21397 1/20 0.47
▸ PTGS1 P23219 1/20 0.47
▸ THPO P40225 1/20 0.47
▸ AOX1 Q06278 1/20 0.47
▸ ACOX1 Q15067 1/20 0.47
▸ MAPT P10636 3/20 0.46
▸ BLM P54132 1/20 0.46

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
SCHEMBL291352 0.80 NPC1 (0.47) NPC1RAB9ATP53SMN1; SMN2KDM4E
SCHEMBL5436460 0.80 NPC1 (0.47) NPC1RAB9ATP53SMN1; SMN2KDM4E
SCHEMBL224748 0.80 NPC1 (0.47) NPC1RAB9ATP53SMN1; SMN2KDM4E
SCHEMBL7547757 0.77 NPC1 (0.44) NPC1RAB9ATP53SMN1; SMN2KDM4E
SCHEMBL30827215 0.77 NPC1 (0.44) NPC1RAB9ATP53SMN1; SMN2KDM4E
SCHEMBL8152019 0.77 NPC1 (0.44) NPC1RAB9ATP53SMN1; SMN2KDM4E
SCHEMBL4254162 0.74 NPC1 (0.44) NPC1RAB9ATP53SMN1; SMN2KDM4E
SCHEMBL4254166 0.74 NPC1 (0.44) NPC1RAB9ATP53SMN1; SMN2KDM4E
SCHEMBL4043088 0.72 KDM4E (0.52) NPC1RAB9ATP53SMN1; SMN2KDM4E
SCHEMBL29982208 0.72 S100A4 (0.41) NPC1RAB9ATP53SMN1; SMN2KDM4E

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 NPC1 451/4885RAB9A 965/4885TP53 4143/4885

“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.

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