SCHEMBL6006556

SCHEMBL6006556

S=[C]NCc1nc2ccccc2[nH]1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.61
POLB P06746 2/20 0.54
DDAH1 O94760 1/20 0.54
GAA P10253 2/20 0.51
RAB9A P51151 5/20 0.50
NPC1 O15118 4/20 0.50
BCHE P06276 1/20 0.50
SMN1; SMN2 Q16637 6/20 0.48
HSD17B10 Q99714 2/20 0.48
KLK1 P06870 1/20 0.48
KLK5 Q9Y337 1/20 0.48
TSHR P16473 2/20 0.47
TP53 P04637 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
MAPK10 P53779 1/20 0.47
KDM4E B2RXH2 1/20 0.47

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
SCHEMBL350138 0.83 PKM (0.61) PKMPOLBDDAH1GAARAB9A
SCHEMBL711507 0.80 PKM (0.71) PKMPOLBDDAH1GAARAB9A
SCHEMBL31734838 0.80 PKM (0.71) PKMPOLBDDAH1GAARAB9A
SCHEMBL21941037 0.79 PKM (0.69) PKMPOLBDDAH1GAARAB9A
SCHEMBL23468380 0.77 PKM (0.67) PKMPOLBDDAH1GAARAB9A
Hydrochloric Acid SCHEMBL710491 0.77 PKM (0.72) PKMPOLBDDAH1GAARAB9A
Hydrochloric Acid SCHEMBL710492 0.77 PKM (0.67) PKMPOLBDDAH1GAARAB9A
SCHEMBL7036589 0.77 DDAH1 (0.59) PKMPOLBDDAH1GAARAB9A
SCHEMBL336412 0.77 PKM (0.96) PKMPOLBDDAH1GAARAB9A
SCHEMBL31298007 0.77 PKM (0.96) PKMPOLBDDAH1GAARAB9A

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 PKM 2376/4885POLB 4662/4885DDAH1 2819/4885

“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.