SCHEMBL1163261

SCHEMBL1163261

COC(=O)c1ccc([N+](=O)[O-])cc1C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.56
ADRB1 P08588 1/20 0.56
ADRB3 P13945 1/20 0.56
ALDH1A1 P00352 6/20 0.55
TDP1 Q9NUW8 4/20 0.55
TSHR P16473 1/20 0.55
POLB P06746 1/20 0.53
CYP3A4 P08684 1/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
MAPT P10636 4/20 0.51
KDM4E B2RXH2 1/20 0.51
HTT P42858 3/20 0.50
PDGFRB P09619 1/20 0.50
FGFR1 P11362 1/20 0.50
PDGFRA P16234 1/20 0.50
FLT1 P17948 1/20 0.50
FGFR3 P22607 1/20 0.50
KDR P35968 1/20 0.50

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
SCHEMBL31557916 0.91 ALDH1A1 (0.55) ADRB2ADRB1ADRB3ALDH1A1TDP1
SCHEMBL1761339 0.88 MAPT (0.52) ADRB2ADRB1ADRB3ALDH1A1TDP1
SCHEMBL1319532 0.87 ALDH1A1 (0.55) ALDH1A1TDP1TSHRPOLBCYP3A4
SCHEMBL31557898 0.87 PYGL (0.49) ADRB2ADRB1ADRB3ALDH1A1TDP1
SCHEMBL1403472 0.86 ALDH1A1 (0.56) ALDH1A1TDP1POLBCYP3A4MEN1
SCHEMBL30203403 0.86 ALDH1A1 (0.56) ALDH1A1TDP1POLBCYP3A4MEN1
SCHEMBL31557925 0.86 ALDH1A1 (0.52) ADRB2ADRB1ADRB3ALDH1A1TDP1
SCHEMBL27989891 0.85 ALDH1A1 (0.54) ADRB2ADRB1ADRB3ALDH1A1TDP1
SCHEMBL31557902 0.85 MEN1 (0.51) ALDH1A1POLBMEN1KMT2ASMN1; SMN2
Methane SCHEMBL27588822 0.85 ALDH1A1 (0.54) ALDH1A1TDP1POLBCYP3A4MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3692101-B1 BRILLIANT BLUE (BBG) DYE DERIVATIVES AND STAINING COMPOSITIONS COMPRISING THE SAME FOR SELECTIVELY STAINING BIOLOGICAL SUBSTRATES ALFA INSTR S R L (IT) 2022-01-12 EP claimed
EP-3692101-A1 BRILLIANT BLUE (BBG) DYE DERIVATIVES AND STAINING COMPOSITIONS COMPRISING THE SAME FOR SELECTIVELY STAINING BIOLOGICAL SUBSTRATES Alfa Instruments S.r.l. (IT) 2020-08-12 EP claimed
WO-2019068935-A1 BRILLIANT BLUE (BBG) DYE DERIVATIVES AND STAINING COMPOSITIONS COMPRISING THE SAME FOR SELECTIVELY STAINING BIOLOGICAL SUBSTRATES ALFA INSTRUMENTS S.R.L. (IT) 2019-04-11 WO claimed
EP-4747244-A1 MODULATORS OF RHO-ASSOCIATED PROTEIN KINASE Redx Pharma Limited (GB) 2026-05-27 EP disclosed
CN-116457344-B Low molecular weight protein degradation agent and application thereof 凯普托尔治疗学股份有限公司 2026-05-12 CN disclosed
EP-4722203-A1 3,4-DIHYDROPHTHALAZIN-1(2H)-ONE DERIVATIVE, AND PREPARATION METHOD THEREFOR AND USE THEREOF Academy of Military Medical Sciences (CN) 2026-04-08 EP disclosed
US-20250325673-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS INC (US) 2025-10-23 US disclosed
EP-4613773-A2 IRAK DEGRADERS AND USES THEREOF Kymera Therapeutics, Inc. (US) 2025-09-10 EP disclosed
EP-3731869-B1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS INC (US) 2025-07-23 EP disclosed
CN-115335373-B Compounds and uses thereof 福宏治疗公司 2025-05-20 CN disclosed
CN-119954777-A 2, 4-Diaminopyrimidine compound and application thereof 沈阳药科大学 2025-05-09 CN disclosed
EP-1617848-A2 ANTI-CANCER PHOSPHONATE CONJUGATES GILEAD SCIENCES, INC. (US) 2006-01-25 EP disclosed
US-6903079-B2 Nucleoside compounds and compositions thereof INOTEK PHARMACEUTICALS CORPORATION (US) 2005-06-07 US disclosed
WO-2004100960-A2 ANTI-INFLAMMATORY PHOSPHONATE COMPOUNDS GILEAD SCIENCES, INC. (US) 2004-11-25 WO disclosed
WO-2004096235-A2 ANTI-CANCER PHOSPHONATE ANALOGS GILEAD SCIENCES, INC. (US) 2004-11-11 WO disclosed
WO-2004096236-A2 IMMUNOMODULATOR PHOSPHONATE CONJUGATES GILEAD SCIENCES, INC. (US) 2004-11-11 WO disclosed
US-20030149050-A1 Inhibitors of inflammation and reperfusion injury and methods of use thereof INOTEK CORP. 2003-08-07 US disclosed
US-6534651-B2 Substituted isoindolinone derivatives INOTEK PHARMACEUTICALS CORP. 2003-03-18 US disclosed
US-20020095044-A1 Inhibitors of inflammation and reperfusion injury and methods of use thereof INOTEK PHARMACEUTICALS CORPORATION 2002-07-18 US disclosed
WO-2001077075-A2 INHIBITORS OF INFLAMMATION AND REPERFUSION INJURY INOTEK CORPORATION (US) 2001-10-18 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-20250325673-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 ADRB2 4578/4885ADRB1 4186/4885ADRB3 4314/4885
US-20020095044-A1 Inhibitors of inflammation and reperfusion injury and methods of use thereof IL1B, PTGS1, MMP8 ADRB2 481/4885ADRB1 281/4885ADRB3 324/4885
US-20030149050-A1 Inhibitors of inflammation and reperfusion injury and methods of use thereof IL1B, PTGS1, MMP8 ADRB2 481/4885ADRB1 281/4885ADRB3 324/4885

“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.