SCHEMBL3083786

SCHEMBL3083786

S=[C]c1nc2ccccc2o1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMB8 P28062 1/20 0.68
NPC1 O15118 6/20 0.50
RAB9A P51151 6/20 0.50
MAPT P10636 5/20 0.50
TP53 P04637 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
LMNA P02545 2/20 0.46
ALDH1A1 P00352 5/20 0.44
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
HPGD P15428 3/20 0.44
HSD17B10 Q99714 3/20 0.44
PKM P14618 2/20 0.44
GAA P10253 2/20 0.44
KDM4E B2RXH2 2/20 0.44
HCRTR1 O43613 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44

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
SCHEMBL5968335 0.89 PSMB8 (0.70) PSMB8NPC1RAB9AMAPTTP53
SCHEMBL10881236 0.84 PSMB8 (0.70) PSMB8NPC1RAB9AMAPTTP53
SCHEMBL6960612 0.81 PSMB8 (0.66) PSMB8NPC1RAB9AMAPTTP53
SCHEMBL223563 0.81 PSMB8 (0.66) PSMB8NPC1RAB9AMAPTTP53
SCHEMBL548913 0.81 PSMB8 (1.00) PSMB8NPC1RAB9AMAPTTP53
SCHEMBL717589 0.81 PSMB8 (0.66) PSMB8NPC1RAB9AMAPTTP53
SCHEMBL12469476 0.76 PSMB8 (0.59) PSMB8NPC1RAB9AMAPTTP53
SCHEMBL27874218 0.76 PSMB8 (0.59) PSMB8NPC1RAB9AMAPTTP53
SCHEMBL29531707 0.74 NPC1 (0.69) PSMB8NPC1RAB9AMAPTTP53
SCHEMBL824375 0.74 NPC1 (0.69) PSMB8NPC1RAB9AMAPTTP53

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100233415-A1 OPTICAL RECORDING MEDIUM AND AZO METAL CHELATE COMPOUND MITSUI CHEMICALS, INC. (JP) 2010-09-16 US disclosed
CN-101370875-A Optical recording medium and azo metal chelate compound MITSUI CHEMICALS INC (JP) 2009-02-18 CN disclosed
EP-1997856-A1 OPTICAL RECORDING MEDIUM AND AZO METAL CHELATE COMPOUND Mitsui Chemicals, Inc. (JP) 2008-12-03 EP disclosed
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 PSMB8 3434/4885NPC1 451/4885RAB9A 965/4885

“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.