SCHEMBL5305682

SCHEMBL5305682

O=CC(=O)Nc1cc2ccccc2[nH]1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 1/20 0.49
FLT3 P36888 1/20 0.47
CYP2A6 P11509 1/20 0.47
DRD2 P14416 2/20 0.47
NPC1 O15118 1/20 0.46
LMNA P02545 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
KDM4E B2RXH2 2/20 0.46
DAO P14920 2/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
SRD5A2 P31213 1/20 0.46
HSD17B10 Q99714 1/20 0.46
GAA P10253 3/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPK1 P28482 1/20 0.45
MGAM O43451 2/20 0.43
SI P14410 2/20 0.43
MGAM2 Q2M2H8 2/20 0.43

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
SCHEMBL13134189 0.85 GRIK1 (0.48) GRIK1FLT3CYP2A6DRD2NPC1
SCHEMBL4792534 0.83 GRIK1 (0.46) GRIK1FLT3CYP2A6DRD2NPC1
SCHEMBL9269321 0.81 GRIK1 (0.56) GRIK1FLT3DRD2NPC1LMNA
SCHEMBL31487774 0.79 MTNR1A (0.53) GRIK1FLT3DRD2NPC1LMNA
SCHEMBL5493171 0.79 KDM4E (0.51) GRIK1FLT3DRD2NPC1LMNA
SCHEMBL4413986 0.79 MTNR1A (0.53) GRIK1FLT3DRD2NPC1LMNA
SCHEMBL5515054 0.79 GRIK1 (0.51) GRIK1FLT3CYP2A6DRD2NPC1
SCHEMBL4410319 0.79 DRD2 (0.49) GRIK1FLT3DRD2NPC1LMNA
SCHEMBL34461886 0.79 DRD2 (0.49) GRIK1FLT3DRD2NPC1LMNA
SCHEMBL13134382 0.78 GRIK1 (0.51) GRIK1FLT3CYP2A6DRD2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112294798-A Composition for reducing absorption of lipase inhibitor in digestive tract 中山万汉制药有限公司 2021-02-02 CN claimed
CN-112294798-A Composition for reducing absorption of lipase inhibitor in digestive tract 中山万汉制药有限公司 2021-02-02 CN disclosed
CN-112294798-A Composition for reducing absorption of lipase inhibitor in digestive tract 中山万汉制药有限公司 2021-02-02 CN disclosed
CN-112263575-A Composition containing orlistat and indoxyl acetamide compound and application thereof 中山万汉制药有限公司 2021-01-26 CN disclosed
CN-112263575-A Composition containing orlistat and indoxyl acetamide compound and application thereof 中山万汉制药有限公司 2021-01-26 CN disclosed
US-9499484-B2 Indole, indoline derivatives, compositions comprising them and uses thereof YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD (IL) 2016-11-22 US disclosed
US-9458161-B1 TSPO ligands for cancer imaging and treatment VANDERBLIT UNIVERSITY (US) 2016-10-04 US disclosed
US-20150087617-A1 INDOLE, INDOLINE DERIVATIVES, COMPOSITIONS COMPRISING THEM AND USES THEREOF YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD (IL) 2015-03-26 US disclosed
EP-2847165-A2 INDOLE, INDOLINE DERIVATIVES, COMPOSITIONS COMPRISING THEM AND USES THEREOF Yissum Research Development Company of the Hebrew University of Jerusalem Ltd. (IL) 2015-03-18 EP disclosed
WO-2013150529-A2 INDOLE, INDOLINE DERIVATIVES, COMPOSITIONS COMPRISING THEM AND USES THEREOF YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD (IL) 2013-10-10 WO disclosed
US-8131527-B1 FGFR pharmacophore compounds ASTEX THERAPEUTICS LTD. (GB) 2012-03-06 US disclosed
EP-1751161-A1 DIAZAINDOLE-DICARBONYL-PIPERAZINYL ANTIVIRAL AGENTS Bristol-Myers Squibb Company (US) 2007-02-14 EP disclosed
EP-1641777-A1 INDOLE DERIVATIVES WITH APOPTOSIS-INDUCING EFFECT Zentaris GmbH (DE) 2006-04-05 EP disclosed
WO-2005054247-A1 DIAZAINDOLE-DICARBONYL-PIPERAZINYL ANTIVIRAL AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-06-16 WO disclosed
WO-2004108702-A1 INDOLE DERIVATIVES WITH APOPTOSIS-INDUCING EFFECT ZENTARIS GMBH (DE) 2004-12-16 WO 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-20150087617-A1 INDOLE, INDOLINE DERIVATIVES, COMPOSITIONS COMPRISING THEM AND USES THEREOF IDO1, INMT, IDO2 GRIK1 1346/4885FLT3 1183/4885CYP2A6 1041/4885

“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.