SCHEMBL3045469

SCHEMBL3045469

O=C(O)c1ccc([N+](=O)[O-])c2nonc12

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GSTP1 P09211 10/20 0.63
▸ GSTM2 P28161 9/20 0.63
▸ MYC P01106 6/20 0.63
▸ MEN1 O00255 6/20 0.63
▸ KMT2A Q03164 6/20 0.63
▸ MAX P61244 3/20 0.57
▸ IDO1 P14902 1/20 0.52
▸ ALDH1A1 P00352 1/20 0.51
▸ CYP2D6 P10635 1/20 0.51
▸ CYP2C9 P11712 1/20 0.51
▸ HPGD P15428 1/20 0.51
▸ ALOX15 P16050 1/20 0.51
▸ ALOX12 P18054 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ HIF1A Q16665 1/20 0.51
▸ HSD17B10 Q99714 1/20 0.51
▸ POLB P06746 1/20 0.49
▸ GAA P10253 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49

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
SCHEMBL13481780 0.85 GSTP1 (0.58) GSTP1GSTM2MYCMEN1KMT2A
SCHEMBL7052057 0.84 GSTM2 (0.66) GSTP1GSTM2MYCMEN1KMT2A
SCHEMBL13401376 0.78 MYC (1.00) GSTP1GSTM2MYCMEN1KMT2A
SCHEMBL6834752 0.78 GSTP1 (1.00) GSTP1GSTM2MYCMEN1KMT2A
SCHEMBL3047621 0.77 MEN1 (0.60) GSTP1GSTM2MYCMEN1KMT2A
SCHEMBL2608494 0.75 GSTP1 (0.61) GSTP1GSTM2MYCMEN1KMT2A
Bicarbonate SCHEMBL30336724 0.74 IDO1 (0.52) GSTP1GSTM2MYCMEN1KMT2A
SCHEMBL21969702 0.74 MEN1 (0.44) GSTP1GSTM2MYCMEN1KMT2A
SCHEMBL3192786 0.74 IDO1 (0.57) GSTP1GSTM2MYCMEN1KMT2A
SCHEMBL41754 0.74 IDO1 (0.58) GSTP1GSTM2MYCMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8470861-B2 Mitochondria-targeted antioxidant prodrugs and methods of use UNIVERSITY OF ROCHESTER (US) 2013-06-25 — — US disclosed
US-20100168198-A1 Mitochondria-targeted antioxidant prodrugs and methods of use UNIVERSITY OF ROCHESTER 2010-07-01 — — US disclosed
US-7655689-B2 Fused heterocyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMPANY (US) 2010-02-02 — — US disclosed
US-20090306125-A1 Mitochondria-Targeted Antioxidant Prodrugs and Methods of Use UNIVERSITY OF ROCHESTER 2009-12-10 — — US disclosed
US-7517904-B2 Fused heterocyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMPANY (US) 2009-04-14 — — US disclosed
US-7470797-B2 Fused heterocyclic imido and amido compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2008-12-30 — — US disclosed
US-7470797-B2 Fused heterocyclic imido and amido compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2008-12-30 — — US disclosed
EP-1954322-A2 MITOCHONDRIA-TARGETED ANTIOXIDANT PRODRUGS AND METHODS OF USE University of Rochester (US) 2008-08-13 — — EP disclosed
WO-2007062343-A2 MITOCHONDRIA-TARGETED ANTIOXIDANT PRODRUGS AND METHODS OF USE UNIVERSITY OF ROCHESTER (US) 2007-05-31 — — 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 (2 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-20090306125-A1 Mitochondria-Targeted Antioxidant Prodrugs and Methods of Use TXNRD2, HADHA, PRDX5 GSTP1 230/4885GSTM2 231/4885MYC 3672/4885
US-20100168198-A1 Mitochondria-targeted antioxidant prodrugs and methods of use TXNRD2, HADHA, PRDX5 GSTP1 230/4885GSTM2 231/4885MYC 3672/4885

“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.

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