SCHEMBL5352173

SCHEMBL5352173

O=C1C(=O)N(c2ccc(O)cc2)c2ccccc21

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 5/20 0.73
BCHE P06276 2/20 0.73
NPSR1 Q6W5P4 2/20 0.73
CES2 O00748 1/20 0.73
ALDH1A1 P00352 1/20 0.73
GAA P10253 1/20 0.73
NR1H3 Q13133 1/20 0.54
AOC3 Q16853 2/20 0.50
POLB P06746 2/20 0.50
APAF1 O14727 1/20 0.50
ESR1 P03372 3/20 0.47
ESR2 Q92731 2/20 0.47
TTR P02766 1/20 0.47
TGM2 P21980 1/20 0.46
HSP90AA1 P07900 1/20 0.46
PKM P14618 1/20 0.46
MAPK1 P28482 1/20 0.46
MGLL Q99685 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
AGTR1 P30556 1/20 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
Phenyl Isatin SCHEMBL1897654 0.91 CES1 (0.83) CES1BCHENPSR1CES2ALDH1A1
Phenyl Isatin SCHEMBL916808 0.85 CES1 (1.00) CES1BCHENPSR1CES2ALDH1A1
SCHEMBL8254529 0.83 NR1H3 (0.51) CES1BCHENPSR1CES2ALDH1A1
SCHEMBL14830555 0.82 CES1 (0.73) CES1BCHENPSR1CES2ALDH1A1
SCHEMBL30951976 0.82 CES1 (0.73) CES1BCHENPSR1CES2ALDH1A1
SCHEMBL2305737 0.82 CES1 (0.73) CES1BCHENPSR1CES2ALDH1A1
SCHEMBL14830299 0.82 CES1 (0.73) CES1BCHENPSR1CES2ALDH1A1
SCHEMBL29506688 0.82 CES1 (0.73) CES1BCHENPSR1CES2ALDH1A1
SCHEMBL20721761 0.82 CES1 (0.73) CES1BCHENPSR1CES2ALDH1A1
SCHEMBL5353747 0.79 CES1 (0.64) CES1BCHENPSR1CES2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3626699-B1 SSAO INHIBITOR SHANDONG DANHONG PHARMACEUTICAL CO LTD (CN) 2023-07-12 EP disclosed
US-20210198220-A1 SSAO INHIBITOR SHANDONG DANHONG PHARMACEUTICAL CO LTD (CN) 2021-07-01 US disclosed
US-11001563-B2 SSAO inhibitor SHANDONG DANHONG PHARMACEUTICAL CO LTD (CN) 2021-05-11 US disclosed
US-20200115352-A1 SSAO INHIBITOR SHANDONG DANHONG PHARMACEUTICAL CO., LTD. 2020-04-16 US disclosed
EP-3626699-A1 SSAO INHIBITOR Shandong Danhong Pharmaceutical Co., Ltd. (CN) 2020-03-25 EP disclosed
CN-104769038-B Polycarbonate resin composition and molded article 出光兴产株式会社 2017-06-30 CN disclosed
CN-105593299-B Resin composition for optical material, optical film and liquid crystal display device DIC株式会社 2017-03-29 CN disclosed
US-7166635-B2 3-imino-2-indolones for the treatment of depression and/or anxiety H. LUNDBECK A/S (DK) 2007-01-23 US disclosed
US-20050148635-A1 3-imino-2-indolones for the treatment of depression and/or anxiety SYNAPTIC PHARMACEUTICAL CORPORATION 2005-07-07 US disclosed
US-20040082615-A1 3-Imino-2-indolones for the treatement of depression and/or anxiety H. LUNDBECK A/S (DK) 2004-04-29 US disclosed
WO-2004014854-A1 3-IMINO-2-INDOLONES FOR THE TREATMENT OF DEPRESSION AND/OR ANXIETY SYNAPTIC PHARMACEUTICAL CORPORATION (US) 2004-02-19 WO disclosed
CN-1132216-A Copolycarbonate, copolycarbonate composition, and method for their manufacture GEN ELECTRIC (US) 1996-10-02 CN 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 (5 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-11001563-B2 SSAO inhibitor SSB, ASAH2, AOX1 CES1 1117/4885BCHE 3796/4885NPSR1 1353/4885
US-20050148635-A1 3-imino-2-indolones for the treatment of depression and/or anxiety GALR3, GALR2, GALR1 CES1 3556/4885BCHE 3445/4885NPSR1 108/4885
US-20210198220-A1 SSAO INHIBITOR SSB, ASAH2, AOX1 CES1 1117/4885BCHE 3796/4885NPSR1 1353/4885
US-20200115352-A1 SSAO INHIBITOR SSB, ASAH2, AOX1 CES1 1117/4885BCHE 3796/4885NPSR1 1353/4885
US-20040082615-A1 3-Imino-2-indolones for the treatement of depression and/or anxiety GALR3, GALR2, GALR1 CES1 3382/4885BCHE 3511/4885NPSR1 107/4885

“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.