SCHEMBL3065790

SCHEMBL3065790

C[C@H](CO)N1C(=O)c2ccccc2C1=O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.62
LMNA P02545 2/20 0.51
ALDH1A1 P00352 6/20 0.46
HTT P42858 2/20 0.46
GAA P10253 2/20 0.46
TNF P01375 1/20 0.46
TP53 P04637 2/20 0.45
NPC1 O15118 1/20 0.45
POLB P06746 2/20 0.45
KDM4E B2RXH2 1/20 0.45
GLA P06280 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
HPGD P15428 1/20 0.45
ALOX12 P18054 1/20 0.45
NFKB1 P19838 1/20 0.45
APEX1 P27695 1/20 0.45
MAPK1 P28482 1/20 0.45
HSD17B10 Q99714 1/20 0.45
KMT2A Q03164 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
SCHEMBL30805802 1.00 TDP1 (0.62) TDP1LMNAALDH1A1HTTGAA
SCHEMBL29445081 1.00 TDP1 (0.62) TDP1LMNAALDH1A1HTTGAA
SCHEMBL30805793 1.00 TDP1 (0.62) TDP1LMNAALDH1A1HTTGAA
SCHEMBL4106122 1.00 TDP1 (0.62) TDP1LMNAALDH1A1HTTGAA
SCHEMBL5194206 1.00 TDP1 (0.62) TDP1LMNAALDH1A1HTTGAA
SCHEMBL31472070 0.87 TDP1 (0.53) TDP1LMNAALDH1A1HTTGAA
SCHEMBL5274508 0.85 TDP1 (0.56) TDP1LMNAALDH1A1HTTGAA
SCHEMBL14833236 0.85 TDP1 (0.59) TDP1LMNAALDH1A1HTTGAA
SCHEMBL29445097 0.85 TDP1 (0.59) TDP1LMNAALDH1A1HTTGAA
SCHEMBL4910827 0.85 TDP1 (0.59) TDP1LMNAALDH1A1HTTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3885340-B1 ANDROGEN RECEPTOR MODULATING COMPOUNDS ORION CORP (FI) 2024-11-27 EP disclosed
EP-3885340-A1 ANDROGEN RECEPTOR MODULATING COMPOUNDS ORION CORPORATION (FI) 2021-09-29 EP disclosed
US-11046713-B2 Androgen receptor modulating compounds ORION CORPORATION (FI) 2021-06-29 US disclosed
EP-3369732-B1 ANDROGEN RECEPTOR MODULATING COMPOUNDS ORION CORP (FI) 2021-05-26 EP disclosed
US-20200299307-A1 ANDROGEN RECEPTOR MODULATING COMPOUNDS ORION CORP (FI) 2020-09-24 US disclosed
US-10711013-B2 Androgen receptor modulating compounds ORION CORPORATION (FI) 2020-07-14 US disclosed
US-20190100536-A1 ANDROGEN RECEPTOR MODULATING COMPOUNDS ORION CORP (FI) 2019-04-04 US disclosed
US-10118933-B2 Androgen receptor modulating compounds ORION CORPORATION (FI) 2018-11-06 US disclosed
EP-3369732-A1 ANDROGEN RECEPTOR MODULATING COMPOUNDS ORION CORPORATION (FI) 2018-09-05 EP disclosed
US-20170260206-A1 ANDROGEN RECEPTOR MODULATING COMPOUNDS ORION CORP (FI) 2017-09-14 US disclosed
US-20060178425-A1 FUNGICIDAL CARBOXAMIDES BASARAB GREGORY S 2006-08-10 US disclosed
US-20050245529-A1 Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-11-03 US disclosed
US-6683212-B1 N-(1-(2-NAPHTHALENYL)ETHYL)CYCLOBUTANECARBOXAMIDE DERIVATIVES; PLANT DISEASES; CROPS; AGRICULTURE E. I. DU PONT DE NEMOURS AND COMPANY 2004-01-27 US disclosed
US-6642392-B1 Pyrrole derivatives BOARD OF TRUSTEES OF THE UNIVERSITY OF ARKANSAS 2003-11-04 US disclosed
US-20030191189-A1 Fungicidal amides BASARAB GREGORY S (US) 2003-10-09 US disclosed
US-6504058-B1 (1(R)-cis)-3-chloro-1,3-dimethyl-N-(1-(2-napthalenyl)ethyl) -cyclobutanecarboxamide and/or isomers, used for controlling plant diseases caused by fungi THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ARKANSAS 2003-01-07 US disclosed
US-6251947-B1 CERTAIN N-(ARYLPROPYL), N-(ARYLOXYETHYL), AND N-(ARYLALLYL)-CARBOXAMIDES, THEIR AGRICULTURALLY SUITABLE SALTS USED AS FUNGICIDE TO CONTROL PLANT DISEASE BY APPLYING AN EFFECTIVE AMOUNT ON THE PLANT BOARD OF TRUSTEES OF THE UNIVERSITY OF ARKANSAS 2001-06-26 US disclosed
EP-0165110-B1 OPTICALLY ACTIVE ISOCARBOSTYRIL DERIVATIVES AND A METHOD OF PREPARING THE SAME NISSHIN FLOUR MILLING CO., LTD. (JP) 1988-12-28 EP disclosed
US-4659833-A FOUR OPTICAL ISOMERS OF 1-(2'-(O-METHOXYPHENYL)-1'-METHYLETHYLAMINO)-3-(4\"-ISOCARBOSTYRILOXY)-2 -PROPANOL ISOLATED BY LIQUID CHROMATOGRAPHY NISSHIN FLOUR MILLING CO., LTD. (JP) 1987-04-21 US disclosed
EP-0165110-A1 Optically active isocarbostyril derivatives and a method of preparing the same NISSHIN FLOUR MILLING CO., LTD. (JP) 1985-12-18 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 (9 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-20170260206-A1 ANDROGEN RECEPTOR MODULATING COMPOUNDS AR, NR5A1, SHBG TDP1 3907/4885LMNA 4479/4885ALDH1A1 570/4885
US-10118933-B2 Androgen receptor modulating compounds AR, NR5A1, SHBG TDP1 3907/4885LMNA 4479/4885ALDH1A1 570/4885
US-10711013-B2 Androgen receptor modulating compounds AR, NR5A1, SHBG TDP1 3907/4885LMNA 4479/4885ALDH1A1 570/4885
US-20200299307-A1 ANDROGEN RECEPTOR MODULATING COMPOUNDS AR, NR5A1, SHBG TDP1 3907/4885LMNA 4479/4885ALDH1A1 570/4885
US-20190100536-A1 ANDROGEN RECEPTOR MODULATING COMPOUNDS AR, NR5A1, SHBG TDP1 3907/4885LMNA 4479/4885ALDH1A1 570/4885
US-11046713-B2 Androgen receptor modulating compounds AR, NR5A1, SHBG TDP1 3907/4885LMNA 4479/4885ALDH1A1 570/4885
US-20060178425-A1 FUNGICIDAL CARBOXAMIDES CBR3, CBR1, CYC1 TDP1 877/4885LMNA 1695/4885ALDH1A1 1188/4885
US-20050245529-A1 Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds MCHR1, GPR119, MCHR2 TDP1 4642/4885LMNA 2541/4885ALDH1A1 3033/4885
US-20030191189-A1 Fungicidal amides CBR1, CBR3, CYCS TDP1 1227/4885LMNA 3409/4885ALDH1A1 768/4885

“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.