SCHEMBL3487734

SCHEMBL3487734

O=C(CC1(O)C(=O)Nc2ccccc21)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.71
USP2 O75604 1/20 0.71
PKM P14618 1/20 0.71
LMNA P02545 3/20 0.68
MAPT P10636 3/20 0.68
HTT P42858 1/20 0.68
NPSR1 Q6W5P4 1/20 0.68
MMP9 P14780 2/20 0.67
MMP8 P22894 2/20 0.67
HPGD P15428 1/20 0.67
TSHR P16473 1/20 0.67
HSD17B10 Q99714 1/20 0.67
SMN1; SMN2 Q16637 3/20 0.65
IDO1 P14902 1/20 0.62
TDO2 P48775 1/20 0.62
GAA P10253 1/20 0.60
GSK3B P49841 1/20 0.58
MMP2 P08253 1/20 0.56
KDM4E B2RXH2 1/20 0.52
CBX7 O95931 1/20 0.52

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
SCHEMBL13274391 1.00 ALDH1A1 (0.71) ALDH1A1USP2PKMLMNAMAPT
SCHEMBL29458128 1.00 ALDH1A1 (0.71) ALDH1A1USP2PKMLMNAMAPT
SCHEMBL29458096 0.90 ALDH1A1 (0.70) ALDH1A1USP2PKMLMNAMAPT
SCHEMBL28454292 0.90 ALDH1A1 (0.70) ALDH1A1USP2PKMLMNAMAPT
SCHEMBL28459576 0.88 ALDH1A1 (0.69) ALDH1A1USP2PKMLMNAMAPT
SCHEMBL29458123 0.88 ALDH1A1 (0.65) ALDH1A1USP2PKMLMNAMAPT
SCHEMBL29458109 0.88 ALDH1A1 (0.69) ALDH1A1USP2PKMLMNAMAPT
SCHEMBL29458120 0.88 ALDH1A1 (0.69) ALDH1A1USP2PKMLMNAMAPT
SCHEMBL28609487 0.88 ALDH1A1 (0.69) ALDH1A1USP2PKMLMNAMAPT
SCHEMBL15337338 0.86 KDM4E (0.72) ALDH1A1USP2PKMLMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111518086-B Oxoindole-naphthofuran derivatives, preparation method and application thereof, and pharmaceutical composition and preparation containing same 广州医科大学 2021-08-06 CN claimed
CN-111518086-A Oxoindole-naphthofuran derivatives, preparation method and application thereof, and pharmaceutical composition and preparation containing same 广州医科大学 2020-08-11 CN claimed
CN-111518086-B Oxoindole-naphthofuran derivatives, preparation method and application thereof, and pharmaceutical composition and preparation containing same 广州医科大学 2021-08-06 CN disclosed
CN-111518086-A Oxoindole-naphthofuran derivatives, preparation method and application thereof, and pharmaceutical composition and preparation containing same 广州医科大学 2020-08-11 CN disclosed
US-9758481-B2 Targeting of EWS-FLI1 as anti-tumor therapy GEORGETOWN UNIVERSITY (US) 2017-09-12 US disclosed
CN-104761600-B Synthesis and uses of beta-1-imidazole-2,3,4,6-tetrahydroxy-D-glucopyranose bromide 江苏师范大学 2017-04-26 CN disclosed
US-20150329488-A1 TARGETING OF EWS-FLI1 AS ANTI-TUMOR THERAPY GEORGETOWN UNIVERSITY 2015-11-19 US disclosed
CN-104761600-A Synthesis and uses of beta-1-imidazole-2,3,4,6-tetrahydroxy-D-glucopyranose bromide UNIV JIANGSU NORMAL 2015-07-08 CN disclosed
CN-104761601-A Synthesis and uses of beta-1-imidazole-2,3,4,6-tetrasulfo-D-glucopyranose hydrosulfate UNIV JIANGSU NORMAL 2015-07-08 CN disclosed
US-9045415-B2 Targeting of EWS-FLI1 as anti-tumor therapy GEORGETOWN UNIVERSITY (US) 2015-06-02 US disclosed
EP-2687206-A1 Targeting of EWS-FLI1 as anti-tumor therapy Georgetown University (US) 2014-01-22 EP disclosed
US-8232310-B2 Targeting of EWS-FLI1 as anti-tumor therapy GEORGETOWN UNIVERSITY (US) 2012-07-31 US disclosed
US-20120122910-A1 METHOD OF TREATING CANCER USING A SURVIVIN INHIBITOR THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2012-05-17 US disclosed
US-20120122910-A1 METHOD OF TREATING CANCER USING A SURVIVIN INHIBITOR THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2012-05-17 US disclosed
WO-2010083505-A1 METHOD OF TREATING CANCER USING A SURVIVIN INHIBITOR THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2010-07-22 WO disclosed
US-20100167994-A1 TARGETING OF EWS-FLI1 AS ANTI-TUMOR THERAPY GEORGETOWN UNIVERSITY (US) 2010-07-01 US disclosed
US-20100004179-A1 TARGETING OF EWS-FLI1 AS ANTI-TUMOR THERAPY GEORGETOWN UNIVERSITY 2010-01-07 US disclosed
EP-2124910-A2 TARGETING OF EWS-FLI1 AS ANTI-TUMOR THERAPY Georgetown University (US) 2009-12-02 EP disclosed
WO-2008083326-A2 TARGETING OF EWS-FLI1 AS ANTI-TUMOR THERAPY GEORGETOWN UNIVERSITY (US) 2008-07-10 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 (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-20100004179-A1 TARGETING OF EWS-FLI1 AS ANTI-TUMOR THERAPY EWSR1, FLI1, PELI1 ALDH1A1 3435/4885USP2 867/4885PKM 4215/4885
US-20120122910-A1 METHOD OF TREATING CANCER USING A SURVIVIN INHIBITOR BIRC5, CDC20, CCNB1 ALDH1A1 1765/4885USP2 1616/4885PKM 3920/4885
US-20150329488-A1 TARGETING OF EWS-FLI1 AS ANTI-TUMOR THERAPY EWSR1, FLI1, PELI1 ALDH1A1 3435/4885USP2 867/4885PKM 4215/4885
US-20100167994-A1 TARGETING OF EWS-FLI1 AS ANTI-TUMOR THERAPY EWSR1, FLI1, PELI1 ALDH1A1 3435/4885USP2 867/4885PKM 4215/4885

“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.