SCHEMBL9053384

SCHEMBL9053384

O=C1Nc2ccccc2C12OCCO2

nearest known ligand 0.86

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.86
POLB P06746 3/20 0.86
MEN1 O00255 3/20 0.86
GAA P10253 1/20 0.86
MAPK1 P28482 1/20 0.86
ALDH1A1 P00352 4/20 0.74
PDK2 Q15119 1/20 0.50
PDK4 Q16654 1/20 0.50
LMNA P02545 2/20 0.47
MAPT P10636 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
BACE1 P56817 1/20 0.45
KDM4E B2RXH2 1/20 0.45
HSD17B10 Q99714 1/20 0.45
CHRM2 P08172 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
KCNH2 Q12809 1/20 0.42
AKR1B1 P15121 1/20 0.42

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
SCHEMBL29963082 1.00 KMT2A (0.86) KMT2APOLBMEN1GAAMAPK1
SCHEMBL2762197 0.93 GAA (1.00) KMT2APOLBMEN1GAAMAPK1
SCHEMBL29963500 0.93 GAA (1.00) KMT2APOLBMEN1GAAMAPK1
SCHEMBL21843254 0.85 ALDH1A1 (1.00) KMT2APOLBMEN1GAAMAPK1
SCHEMBL29373128 0.85 ALDH1A1 (1.00) KMT2APOLBMEN1GAAMAPK1
SCHEMBL9098061 0.79 KMT2A (0.61) KMT2APOLBMEN1GAAMAPK1
SCHEMBL9097140 0.75 KMT2A (0.67) KMT2APOLBMEN1GAAMAPK1
SCHEMBL5314641 0.75 KMT2A (0.67) KMT2APOLBMEN1GAAMAPK1
SCHEMBL9097528 0.75 KMT2A (0.67) KMT2APOLBMEN1GAAMAPK1
SCHEMBL2780325 0.75 KMT2A (0.67) KMT2APOLBMEN1GAAMAPK1

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115991693-A Coumarin-containing compound and preparation method and application thereof 华东理工大学 2023-04-21 CN disclosed
CN-115368349-A Novel N-substituted isatin derivative, preparation thereof and application thereof in preparation of antitumor drugs 中国医学科学院药用植物研究所 2022-11-22 CN disclosed
CN-115340495-A O-nitrobenzene compound and preparation method and application thereof 华东理工大学 2022-11-15 CN disclosed
CN-115124487-A Preparation method and application of arylimino thiazole compounds 华东理工大学 2022-09-30 CN disclosed
CN-108276352-B Nitrogen-containing heterocyclic compound with nematicidal activity and preparation method and application thereof 华东理工大学 2022-09-20 CN disclosed
CN-114105986-A Aromatic condensed ring diketone compound and preparation method and application thereof 华东理工大学 2022-03-01 CN disclosed
CN-107625766-B Application of thiazole compound as antibacterial synergist 上海医药工业研究院 2021-08-31 CN disclosed
CN-113150053-A Azobenzene avermectin derivative and preparation method and application thereof 华东理工大学 2021-07-23 CN disclosed
CN-104530037-B Triazine heterocyclic compound with nematicidal activity and preparation method and application thereof 华东理工大学 2020-12-18 CN disclosed
CN-111518022-A Aromatic (hetero) cyclic ether compound with insecticidal activity and preparation method and application thereof 华东理工大学 2020-08-11 CN disclosed
US-9073935-B2 Substituted benzylspiroindolin-2-one analogs as positive allosteric modulators of the muscarinic acetylcholine receptor M1 VANDERBILT UNIVERSITY (US) 2015-07-07 US disclosed
US-9073935-B2 Substituted benzylspiroindolin-2-one analogs as positive allosteric modulators of the muscarinic acetylcholine receptor M1 VANDERBILT UNIVERSITY (US) 2015-07-07 US disclosed
US-9073935-B2 Substituted benzylspiroindolin-2-one analogs as positive allosteric modulators of the muscarinic acetylcholine receptor M1 VANDERBILT UNIVERSITY (US) 2015-07-07 US disclosed
WO-2013071201-A1 SUBSTITUTED BENZYLSPIROINDOLIN-2-ONE ANALOGS AS POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M1 VANDERBILT UNIVERSITY (US) 2013-05-16 WO disclosed
US-20130123236-A1 SUBSTITUTED BENZYLSPIROINDOLIN-2-ONE ANALOGS AS POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M1 VANDERBILT UNIVERSITY (US) 2013-05-16 US disclosed
US-20130123236-A1 SUBSTITUTED BENZYLSPIROINDOLIN-2-ONE ANALOGS AS POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M1 VANDERBILT UNIVERSITY (US) 2013-05-16 US disclosed
US-20130123236-A1 SUBSTITUTED BENZYLSPIROINDOLIN-2-ONE ANALOGS AS POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M1 VANDERBILT UNIVERSITY (US) 2013-05-16 US disclosed
WO-2013071201-A1 SUBSTITUTED BENZYLSPIROINDOLIN-2-ONE ANALOGS AS POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M1 VANDERBILT UNIVERSITY (US) 2013-05-16 WO disclosed
EP-0703901-A1 1-SUBSTITUTED ISATIN AND OXINDOLE DERIVATIVES AS INHIBITORS OF ACETYLCHOLINESTERASE Astra Aktiebolag (SE) 1996-04-03 EP disclosed
WO-1994029272-A1 1-SUBSTITUTED ISATIN AND OXINDOLE DERIVATIVES AS INHIBITORS OF ACETYLCHOLINESTERASE ASTRA AKTIEBOLAG (SE) 1994-12-22 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-20130123236-A1 SUBSTITUTED BENZYLSPIROINDOLIN-2-ONE ANALOGS AS POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M1 CHRM1, CHRM2, CHRM3 KMT2A 1250/4885POLB 4506/4885MEN1 1138/4885

“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.