SCHEMBL4296967

SCHEMBL4296967

COC(=O)c1cccc(NC(=O)COc2ccc([N+](=O)[O-])cc2)c1

nearest known ligand 0.82

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.82
CYP1A2 P05177 1/20 0.82
CYP3A4 P08684 1/20 0.82
CYP2D6 P10635 1/20 0.82
CYP2C9 P11712 1/20 0.82
CYP2C19 P33261 1/20 0.82
ALDH1A1 P00352 6/20 0.82
POLB P06746 3/20 0.82
MEN1 O00255 3/20 0.82
KMT2A Q03164 3/20 0.82
LMNA P02545 2/20 0.80
MAPK1 P28482 2/20 0.80
SMN1; SMN2 Q16637 2/20 0.80
MDH1 P40925 3/20 0.65
MDH2 P40926 1/20 0.64
HIF1A Q16665 1/20 0.60
EPAS1 Q99814 1/20 0.60

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
SCHEMBL4293640 0.87 MAPT (0.73) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL21631143 0.84 HIF1A (0.74) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL4297880 0.83 MDH1 (0.70) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL20495329 0.83 MDH1 (0.81) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL4293727 0.83 MDH1 (0.70) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL4299658 0.83 ALDH1A1 (0.79) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL4299462 0.83 HIF1A (0.77) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL4296032 0.83 MDH1 (0.70) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL15506194 0.82 MAPT (0.66) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL13576900 0.82 HIF1A (0.71) MAPTCYP1A2CYP3A4CYP2D6CYP2C9

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-20200031764-A1 NOVEL COMPOUND HAVING MALATE DEHYDROGENASE INHIBITORY ACTIVITY AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING CANCER COMPRISING SAME AS ACTIVE INGREDIENT KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2020-01-30 US claimed
US-20090306078-A1 COMPOUNDS THAT INHIBIT HIF-1 ACTIVITY, THE METHOD FOR PREPARATION THEREOF AND THE PHARMACEUTICAL COMPOSITION CONTAINING THEM AS AN EFFECTIVE COMPONENT KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2009-12-10 US claimed
WO-2008004798-A1 COMPOUNDS THAT INHIBIT HIF-1 ACTIVITY, THE METHOD FOR PREPARATION THEREOF AND THE PHARMACEUTICAL COMPOSITION CONTAINING THEM AS AN EFFECTIVE COMPONENT KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2008-01-10 WO claimed
US-12630497-B2 Compound having malate dehydrogenase inhibitory activity and pharmaceutical composition for preventing or treating cancer comprising same as active ingredient DONGGUK UNIVERSITY INDUSTRY-ACADEMIC COOPERATION FOUNDATION (KR) 2026-05-19 US disclosed
US-20200031764-A1 NOVEL COMPOUND HAVING MALATE DEHYDROGENASE INHIBITORY ACTIVITY AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING CANCER COMPRISING SAME AS ACTIVE INGREDIENT KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2020-01-30 US disclosed
US-8394799-B2 Compounds that inhibit HIF-1 activity, the method for preparation thereof and the pharmaceutical composition containing them as an effective component KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2013-03-12 US disclosed
US-8394799-B2 Compounds that inhibit HIF-1 activity, the method for preparation thereof and the pharmaceutical composition containing them as an effective component KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2013-03-12 US disclosed
US-8394799-B2 Compounds that inhibit HIF-1 activity, the method for preparation thereof and the pharmaceutical composition containing them as an effective component KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2013-03-12 US disclosed
US-20090306078-A1 COMPOUNDS THAT INHIBIT HIF-1 ACTIVITY, THE METHOD FOR PREPARATION THEREOF AND THE PHARMACEUTICAL COMPOSITION CONTAINING THEM AS AN EFFECTIVE COMPONENT KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2009-12-10 US disclosed
US-20090306078-A1 COMPOUNDS THAT INHIBIT HIF-1 ACTIVITY, THE METHOD FOR PREPARATION THEREOF AND THE PHARMACEUTICAL COMPOSITION CONTAINING THEM AS AN EFFECTIVE COMPONENT KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2009-12-10 US disclosed
US-20090306078-A1 COMPOUNDS THAT INHIBIT HIF-1 ACTIVITY, THE METHOD FOR PREPARATION THEREOF AND THE PHARMACEUTICAL COMPOSITION CONTAINING THEM AS AN EFFECTIVE COMPONENT KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2009-12-10 US disclosed
WO-2008004798-A1 COMPOUNDS THAT INHIBIT HIF-1 ACTIVITY, THE METHOD FOR PREPARATION THEREOF AND THE PHARMACEUTICAL COMPOSITION CONTAINING THEM AS AN EFFECTIVE COMPONENT KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2008-01-10 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 (3 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-20200031764-A1 NOVEL COMPOUND HAVING MALATE DEHYDROGENASE INHIBITORY ACTIVITY AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING CANCER COMPRISING SAME AS ACTIVE INGREDIENT MDH2, MDH1, ALDH5A1 MAPT 3416/4885CYP1A2 1085/4885CYP3A4 1049/4885
US-12630497-B2 Compound having malate dehydrogenase inhibitory activity and pharmaceutical composition for preventing or treating cancer comprising same as active ingredient MDH2, MDH1, ME2 MAPT 3599/4885CYP1A2 1278/4885CYP3A4 1376/4885
US-20090306078-A1 COMPOUNDS THAT INHIBIT HIF-1 ACTIVITY, THE METHOD FOR PREPARATION THEREOF AND THE PHARMACEUTICAL COMPOSITION CONTAINING THEM AS AN EFFECTIVE COMPONENT HIF1AN, HIF1A, VHL MAPT 3883/4885CYP1A2 3079/4885CYP3A4 2825/4885

“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.