SCHEMBL609917

SCHEMBL609917

CCCC(=O)NC(c1ccco1)c1cc([N+](=O)[O-])c2cccnc2c1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 12/20 1.00
HTT P42858 11/20 1.00
TDP1 Q9NUW8 10/20 1.00
SMN1; SMN2 Q16637 10/20 1.00
MAPT P10636 10/20 1.00
MEN1 O00255 10/20 1.00
KMT2A Q03164 10/20 1.00
NPSR1 Q6W5P4 1/20 1.00
ALOX12 P18054 13/20 0.88
L3MBTL1 Q9Y468 11/20 0.75
LMNA P02545 10/20 0.75
TP53 P04637 2/20 0.75
PSMD14 O00487 2/20 0.75
MMP2 P08253 2/20 0.75
HSP90AA1 P07900 2/20 0.73
USP2 O75604 1/20 0.73
ALOX15 P16050 1/20 0.73
TSHR P16473 1/20 0.73
POLB P06746 3/20 0.67
MDM2 Q00987 1/20 0.65

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
SCHEMBL26241585 0.95 KDM4E (0.91) KDM4EHTTTDP1SMN1; SMN2MAPT
SCHEMBL2598263 0.94 KDM4E (1.00) KDM4EHTTTDP1SMN1; SMN2MAPT
SCHEMBL12839880 0.89 ALOX12 (0.81) KDM4EHTTTDP1SMN1; SMN2MAPT
SCHEMBL2153921 0.87 KDM4E (0.77) KDM4EHTTTDP1SMN1; SMN2MAPT
SCHEMBL610484 0.85 KDM4E (1.00) KDM4EHTTTDP1SMN1; SMN2MAPT
SCHEMBL2153870 0.85 KDM4E (0.74) KDM4EHTTTDP1SMN1; SMN2MAPT
SCHEMBL30876651 0.85 KDM4E (0.74) KDM4EHTTTDP1SMN1; SMN2MAPT
SCHEMBL27196457 0.85 KDM4E (0.74) KDM4EHTTTDP1SMN1; SMN2MAPT
SCHEMBL17223781 0.85 KDM4E (1.00) KDM4EHTTTDP1SMN1; SMN2MAPT
SCHEMBL2153339 0.83 KDM4E (0.74) KDM4EHTTTDP1SMN1; SMN2MAPT

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
US-20210198244-A1 SMALL MOLECULE ACTIVATORS OF MITOCHONDRIAL FUNCTION THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2021-07-01 US claimed
US-20170334890-A1 SMALL MOLECULE ACTIVATORS OF MITOCHONDRIAL FUNCTION THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2017-11-23 US claimed
US-20150210674-A1 SMALL MOLECULE ACTIVATORS OF MITOCHONDRIAL FUNCTION THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2015-07-30 US claimed
WO-2010068767-A1 SMALL MOLECULE ACTIVATORS OF MITOCHONDRIAL FUNCTION THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2010-06-17 WO claimed
US-20210198244-A1 SMALL MOLECULE ACTIVATORS OF MITOCHONDRIAL FUNCTION THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2021-07-01 US disclosed
US-10745390-B2 Small molecule activators of mitochondrial function THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2020-08-18 US disclosed
US-20170334890-A1 SMALL MOLECULE ACTIVATORS OF MITOCHONDRIAL FUNCTION THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2017-11-23 US disclosed
US-9695157-B2 Small molecule activators of mitochondrial function THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2017-07-04 US disclosed
US-20150210674-A1 SMALL MOLECULE ACTIVATORS OF MITOCHONDRIAL FUNCTION THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2015-07-30 US disclosed
US-9000009-B2 Small molecule activators of mitochondrial function THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2015-04-07 US disclosed
US-20120041023-A1 SMALL MOLECULE ACTIVATORS OF MITOCHONDRIAL FUNCTION NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-02-16 US disclosed
WO-2010068767-A1 SMALL MOLECULE ACTIVATORS OF MITOCHONDRIAL FUNCTION THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2010-06-17 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 (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-20150210674-A1 SMALL MOLECULE ACTIVATORS OF MITOCHONDRIAL FUNCTION TFAM, TFB2M, GFM1 KDM4E 4095/4885HTT 257/4885TDP1 650/4885
US-20170334890-A1 SMALL MOLECULE ACTIVATORS OF MITOCHONDRIAL FUNCTION TFAM, TFB2M, GFM1 KDM4E 4095/4885HTT 257/4885TDP1 650/4885
US-20120041023-A1 SMALL MOLECULE ACTIVATORS OF MITOCHONDRIAL FUNCTION TFAM, TFB2M, GFM1 KDM4E 4129/4885HTT 264/4885TDP1 695/4885
US-10745390-B2 Small molecule activators of mitochondrial function TFAM, TFB2M, GFM1 KDM4E 4095/4885HTT 257/4885TDP1 650/4885
US-20210198244-A1 SMALL MOLECULE ACTIVATORS OF MITOCHONDRIAL FUNCTION TFAM, TFB2M, GFM1 KDM4E 4095/4885HTT 257/4885TDP1 650/4885

“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.