SCHEMBL532580

SCHEMBL532580

O=Cc1cc(F)c(O)c([N+](=O)[O-])c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.74
ALDH5A1 P51649 1/20 0.54
ABAT P80404 1/20 0.54
ERN1 O75460 1/20 0.47
GPR35 Q9HC97 3/20 0.46
MEN1 O00255 2/20 0.46
ALDH1A1 P00352 2/20 0.46
MAPT P10636 2/20 0.46
HPGD P15428 2/20 0.46
RECQL P46063 2/20 0.46
KMT2A Q03164 2/20 0.46
VCAM1 P19320 1/20 0.46
TTR P02766 2/20 0.46
KDM4E B2RXH2 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
ALOX15 P16050 1/20 0.46
ALOX12 P18054 1/20 0.46
MAPK1 P28482 1/20 0.46
PMP22 Q01453 1/20 0.46

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
SCHEMBL6897071 0.87 XDH (0.81) XDHALDH5A1ABATERN1GPR35
3,4-Dihydroxy-5-Nitrobenzaldehyde SCHEMBL29357099 0.85 XDH (1.00) XDHALDH5A1ABATGPR35MEN1
3,4-Dihydroxy-5-Nitrobenzaldehyde SCHEMBL346035 0.85 XDH (1.00) XDHALDH5A1ABATGPR35MEN1
3,4-Dihydroxy-5-Nitrobenzaldehyde SCHEMBL8731720 0.84 XDH (0.96) XDHALDH5A1ABATGPR35MEN1
3,4-Dihydroxy-5-Nitrobenzaldehyde SCHEMBL28213417 0.82 XDH (0.93) XDHALDH5A1ABATGPR35MEN1
SCHEMBL15783651 0.80 XDH (0.71) XDHALDH5A1ABATERN1
SCHEMBL6902748 0.79 XDH (0.58) XDHALDH5A1ABATERN1MEN1
SCHEMBL531803 0.79 XDH (0.69) XDHALDH5A1ABATERN1GPR35
SCHEMBL2512695 0.79 XDH (0.69) XDHALDH5A1ABATERN1GPR35
SCHEMBL531545 0.79 XDH (0.69) XDHALDH5A1ABATERN1GPR35

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4735048-A1 BIOACTIVE CONJUGATES, PREPARATION METHOD AND USE THEREOF Beone Medicines I GmbH (CH) 2026-05-06 EP disclosed
US-20260115304-A1 BIOACTIVE CONJUGATES, PREPARATION METHOD AND USE THEREOF BEONE MEDICINES I GMBH (CH) 2026-04-30 US disclosed
WO-2025002368-A1 BIOACTIVE CONJUGATES, PREPARATION METHOD AND USE THEREOF BEIGENE, LTD. (GB) 2025-01-02 WO disclosed
CN-117623931-A Preparation method of safe and environment-friendly mono-nitro aromatic hydrocarbon 清源创新实验室 2024-03-01 CN disclosed
US-9283229-B2 Dihydropyrimidin-2(1H)-one compounds as S-nitrosoglutathione reductase inhibitors NIVALIS THERAPEUTICS, INC. (US) 2016-03-15 US disclosed
US-20150224107-A1 Novel Dihydropyrimidin-2(1H)-one Compounds as S-Nitrosoglutathione Reductase Inhibitors N30 PHARMACEUTICALS, LLC 2015-08-13 US disclosed
US-9067893-B2 Dihydropyrimidin-2(1H)-one compounds as S-nitrosoglutathione reductase inhibitors NIVALIS THERAPEUTICS, INC. (US) 2015-06-30 US disclosed
EP-2415767-B1 Poly (ADP-ribose) Polymerase (PARP) Inhibitors TAKEDA PHARMACEUTICAL (JP) 2014-09-03 EP disclosed
US-20140235640-A1 Novel Dihydropyrimidin-2(1H)-one Compounds as S-Nitrosoglutathione Reductase Inhibitors N30 PHARMACEUTICALS, INC. (US) 2014-08-21 US disclosed
US-8741915-B2 Dihydropyrimidin-2(1H)-one compounds as S-nitrosoglutathione reductase inhibitors N30 PHARMACEUTICALS, INC. (US) 2014-06-03 US disclosed
US-20120208817-A1 Novel Dihydropyrimidin-2(1H)-one Compounds as S-Nitrosoglutathione Reductase Inhibitors N30 PHARMACEUTICALS, LLC (US) 2012-08-16 US disclosed
EP-2480086-A1 NOVEL DIHYDROPYRIMIDIN-2(1H)-ONE COMPOUNDS AS S-NITROSOGLUTATHIONE REDUCTASE INHIBITORS N30 Pharmaceuticals, LLC (US) 2012-08-01 EP disclosed
US-20120094992-A1 POLY (ADP-RIBOSE) POLYMERASE (PARP) INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-19 US disclosed
EP-2415767-A1 Poly (ADP-ribose) Polymerase (PARP) Inhibitors Takeda Pharmaceutical Company Limited (JP) 2012-02-08 EP disclosed
WO-2011038204-A1 NOVEL DIHYDROPYRIMIDIN-2(1H)-ONE COMPOUNDS AS S-NITROSOGLUTATHIONE REDUCTASE INHIBITORS N30 PHARMACEUTICALS, LLC (US) 2011-03-31 WO disclosed
WO-2010111626-A2 POLY (ADP-RIBOSE) POLYMERASE (PARP) INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-30 WO disclosed
US-7205295-B2 Benzoxazin-3-ones and derivatives thereof as therapeutic agents WARNER-LAMBERT COMPANY LLC (US) 2007-04-17 US disclosed
EP-1569653-A1 BENZOXAZIN-3-ONES AND DERIVATIVES THEREOF AS INHIBITORS OF PI3K Warner-Lambert Company LLC (US) 2005-09-07 EP disclosed
WO-2004052373-A1 BENZOXAZIN-3-ONES AND DERIVATIVES THEREOF AS INHIBITORS OF PI3K WARNER-LAMBERT COMPANY LLC (US) 2004-06-24 WO disclosed
US-20040121996-A1 Benzoxazin-3-ones and derivatives thereof as therapeutic agents BARVIAN NICOLE (US) 2004-06-24 US 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 (6 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-20140235640-A1 Novel Dihydropyrimidin-2(1H)-one Compounds as S-Nitrosoglutathione Reductase Inhibitors QDPR, GSR, CBR1 XDH 258/4885ALDH5A1 48/4885ABAT 1551/4885
US-20040121996-A1 Benzoxazin-3-ones and derivatives thereof as therapeutic agents XDH, HAX1, CYP4X1 XDH 1/4885ALDH5A1 1255/4885ABAT 2151/4885
US-20120208817-A1 Novel Dihydropyrimidin-2(1H)-one Compounds as S-Nitrosoglutathione Reductase Inhibitors QDPR, GSR, CBR1 XDH 258/4885ALDH5A1 48/4885ABAT 1551/4885
US-20150224107-A1 Novel Dihydropyrimidin-2(1H)-one Compounds as S-Nitrosoglutathione Reductase Inhibitors QDPR, GSR, CBR1 XDH 258/4885ALDH5A1 48/4885ABAT 1551/4885
US-20260115304-A1 BIOACTIVE CONJUGATES, PREPARATION METHOD AND USE THEREOF GUSB, PSMA6, CD44 XDH 1733/4885ALDH5A1 3153/4885ABAT 3707/4885
US-20120094992-A1 POLY (ADP-RIBOSE) POLYMERASE (PARP) INHIBITORS PARP1, PARP2, PARP3 XDH 570/4885ALDH5A1 803/4885ABAT 833/4885

“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.