SCHEMBL2113634

SCHEMBL2113634

COc1ccc2ccccc2c1C(N)=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.55
KDM4E B2RXH2 3/20 0.51
HPGD P15428 3/20 0.51
POLB P06746 2/20 0.51
ALDH1A1 P00352 2/20 0.51
ABCG2 Q9UNQ0 1/20 0.51
MEN1 O00255 1/20 0.51
LMNA P02545 1/20 0.51
PKM P14618 1/20 0.51
HTT P42858 1/20 0.51
BLM P54132 1/20 0.51
KMT2A Q03164 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
NCEH1 Q6PIU2 3/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
CTDSP1 Q9GZU7 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
CNR2 P34972 3/20 0.49
CTSD P07339 1/20 0.48
MTNR1A P48039 1/20 0.48

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
SCHEMBL23499947 0.86 CNR2 (0.59) MAPTKDM4EHPGDPOLBALDH1A1
SCHEMBL23499953 0.85 MAPT (0.58) MAPTKDM4EHPGDPOLBALDH1A1
SCHEMBL3357585 0.84 NCEH1 (0.65) MAPTKDM4EHPGDPOLBALDH1A1
SCHEMBL30676839 0.84 NCEH1 (0.65) MAPTKDM4EHPGDPOLBALDH1A1
SCHEMBL979842 0.84 CA12 (0.58) MAPTKDM4EHPGDPOLBALDH1A1
Hydrochloric Acid SCHEMBL5403782 0.83 CA12 (0.56) MAPTKDM4EHPGDPOLBALDH1A1
SCHEMBL10617741 0.83 NCEH1 (0.57) MAPTKDM4EHPGDPOLBALDH1A1
SCHEMBL10966660 0.83 MAPT (0.55) MAPTKDM4EHPGDPOLBALDH1A1
SCHEMBL3915104 0.83 NCEH1 (0.70) MAPTKDM4EHPGDPOLBALDH1A1
SCHEMBL3997233 0.83 MAPT (0.55) MAPTKDM4EHPGDPOLBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4407815-A AMINO ACID DERIVATIVE ANTIBIOTICS BEECHAM GROUP LIMITED (GB) 1983-10-04 US claimed
WO-2023277630-A1 GALACTOSIDE DERIVATIVE AS GALECTIN-3 INHIBITOR 주식회사 티움바이오 2023-01-05 WO disclosed
US-11236097-B2 11,13-modified saxitoxins for the treatment of pain SITEONE THERAPEUTICS, INC. (US) 2022-02-01 US disclosed
CN-107438599-B Targeted Notch pathway inhibitors 豪夫迈·罗氏有限公司 2021-12-10 CN disclosed
US-20200102318-A1 11,13-MODIFIED SAXITOXINS FOR THE TREATMENT OF PAIN THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2020-04-02 US disclosed
CN-107382770-B A method of alpha-amido oximido ether compound is synthesized by N- alkoxy amide and 2H- aziridine 浙江大学 2019-07-09 CN disclosed
CN-107382770-A A kind of method that α amino oximido ether compounds are synthesized by N alkoxy amides and 2H aziridine 浙江大学 2017-11-24 CN disclosed
US-20170233398-A1 11,13-MODIFIED SAXITOXINS FOR THE TREATMENT OF PAIN SITEONE THERAPEUTICS, INC. 2017-08-17 US disclosed
US-9409856-B2 Estrogen receptor ligands and methods of use thereof GTX, INC. (US) 2016-08-09 US disclosed
US-20160031797-A1 ESTROGEN RECEPTOR LIGANDS AND METHODS OF USE THEREOF GTX, INC. 2016-02-04 US disclosed
EP-0046363-B1 PROCESS FOR THE PREPARATION OF 2-THIO PENEM DERIVATIVES AND INTERMEDIATES THEREFOR BEECHAM GROUP PLC (GB) 1984-11-14 EP disclosed
EP-0034443-B1 BETA-LACTAM ANTIBACTERIAL COMPOUNDS, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM BEECHAM GROUP PLC (GB) 1984-09-26 EP disclosed
US-4463010-A 1-Aza-[3.2.0]-bicycloheptane-2-carboxylic acid, ester or salt thereof BEECHAM GROUP P.L.C. (GB) 1984-07-31 US disclosed
US-4387051-A β-Lactam antibiotics, their preparation and their use in pharmaceutical compositions BEECHAM GROUP LIMITED (GB) 1983-06-07 US disclosed
EP-0073100-A1 Beta-lactam compounds, their preparation and their use BEECHAM GROUP PLC (GB) 1983-03-02 EP disclosed
EP-0067518-A1 Modified beta-lactam compounds BEECHAM GROUP PLC (GB) 1982-12-22 EP disclosed
EP-0046363-A1 Process for the preparation of 2-thio penem derivatives and intermediates therefor BEECHAM GROUP PLC (GB) 1982-02-24 EP disclosed
US-4304853-A Method of determination for proteases and antiproteases JOZEFONVICZ MARCEL 1981-12-08 US disclosed
EP-0034443-A2 Beta-lactam antibacterial compounds, their preparation and pharmaceutical compositions containing them BEECHAM GROUP PLC (GB) 1981-08-26 EP disclosed
EP-0028497-A1 Beta-lactam antibiotics, their preparation and their use in pharmaceutical compositions BEECHAM GROUP PLC (GB) 1981-05-13 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 (4 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-11236097-B2 11,13-modified saxitoxins for the treatment of pain SCN11A, SCN10A, CACNA1A MAPT 3391/4885KDM4E 2478/4885HPGD 2574/4885
US-20160031797-A1 ESTROGEN RECEPTOR LIGANDS AND METHODS OF USE THEREOF ESRRB, ESRRA, ESR2 MAPT 4637/4885KDM4E 3063/4885HPGD 836/4885
US-20170233398-A1 11,13-MODIFIED SAXITOXINS FOR THE TREATMENT OF PAIN SCN11A, SCN10A, SCN3A MAPT 3111/4885KDM4E 3099/4885HPGD 1585/4885
US-20200102318-A1 11,13-MODIFIED SAXITOXINS FOR THE TREATMENT OF PAIN SCN11A, SCN10A, CACNA1A MAPT 3391/4885KDM4E 2478/4885HPGD 2574/4885

“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.