SCHEMBL472058

SCHEMBL472058

[CH2]C(c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.54
LMNA P02545 1/20 0.54
L3MBTL1 Q9Y468 3/20 0.50
MAPT P10636 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
HSD17B10 Q99714 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
ACHE P22303 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
TSHR P16473 1/20 0.50
MAPK1 P28482 1/20 0.50
PHLPP2 Q6ZVD8 1/20 0.50
KDM4E B2RXH2 1/20 0.48
HPGD P15428 2/20 0.47
CRHBP P24387 1/20 0.47
ATM Q13315 1/20 0.47
CRHR2 Q13324 1/20 0.47
TLR9 Q9NR96 1/20 0.47

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
SCHEMBL27664321 0.84 MEN1 (0.54) ALDH1A1LMNAL3MBTL1MAPTMEN1
SCHEMBL5703968 0.82 ALDH1A1 (0.58) ALDH1A1L3MBTL1MAPTMEN1KMT2A
SCHEMBL7491094 0.82 MAPT (0.56) ALDH1A1LMNAL3MBTL1MAPTMEN1
SCHEMBL27594561 0.82 MAPT (0.56) ALDH1A1LMNAL3MBTL1MAPTMEN1
SCHEMBL27298149 0.82 ALDH1A1 (0.58) ALDH1A1L3MBTL1MAPTMEN1KMT2A
SCHEMBL28372644 0.82 ALDH1A1 (0.58) ALDH1A1L3MBTL1MAPTMEN1KMT2A
SCHEMBL6041024 0.82 ALDH1A1 (0.48) ALDH1A1LMNAL3MBTL1MAPTMEN1
SCHEMBL20377072 0.82 ALDH1A1 (0.52) ALDH1A1LMNAL3MBTL1MAPTMEN1
SCHEMBL1047553 0.80 MAPT (0.70) ALDH1A1LMNAL3MBTL1MAPTMEN1
SCHEMBL22567 0.79 ALDH1A1 (0.72) ALDH1A1LMNAMEN1KMT2AHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3068405-B1 PYRROLO [1,2,F][1,2,4]TRIAZINES USEFUL FOR TREATING RESPIRATORY SYNCITIAL VIRUS INFECTIONS GILEAD SCIENCES INC (US) 2019-05-01 EP claimed
EP-3323414-A1 INHIBITORS OF NEDD8-ACTIVATING ENZYME Millennium Pharmaceuticals, Inc. (US) 2018-05-23 EP claimed
US-9493469-B2 Piperidine inhibitors of Janus kinase 3 AUSPEX PHARMACEUTICALS, INC. (US) 2016-11-15 US claimed
EP-4122932-A1 PYRROLO[1,2-F][1,2,4]TRIAZINES USEFUL FOR TREATING RESPIRATORY SYNCITIAL VIRUS INFECTIONS Gilead Sciences, Inc. (US) 2023-01-25 EP disclosed
EP-4023650-A1 4'-SUBSTITUTED-FURO[3,2-D]PYRIMIDINE AND -PYRROLO[3,2- D]PYRIMIDINE DERIVATIVES USEFUL FOR TREATING RESPIRATORY SYNCITIAL VIRUS INFECTIONS Gilead Sciences, Inc. (US) 2022-07-06 EP disclosed
EP-3505173-B1 PYRROLO[1,2-F][1,2,4]TRIAZINES USEFUL FOR TREATING RESPIRATORY SYNCITIAL VIRUS INFECTIONS GILEAD SCIENCES INC (US) 2022-07-06 EP disclosed
EP-3693367-B1 THIENO [3,2-D]PYRIMIDINES USEFUL FOR TREATING RESPIRATORY SYNCITIAL VIRUS INFECTIONS GILEAD SCIENCES INC (US) 2022-02-16 EP disclosed
US-11237156-B2 Method and composition for detection of peptide cyclization using protein tags Roche Sequencing Solutions, Inc. (US) 2022-02-01 US disclosed
US-20220000900-A1 Oligonucleotide Analogues Incorporating 5-Aza-Cytosine Therein ASTEX PHARMACEUTICALS INC (US) 2022-01-06 US disclosed
US-20210347941-A1 METHOD FOR PREPARING FUNCTIONALIZED POLYMERS FROM POLYMER ALCOHOLS NEKTAR THERAPEUTICS (US) 2021-11-11 US disclosed
EP-3497446-B1 METHOD AND COMPOSITION FOR DETECTION OF PEPTIDE CYCLIZATION USING PROTEIN TAGS HOFFMANN LA ROCHE (CH) 2021-04-28 EP disclosed
EP-1289999-A1 ANTITUMORAL ANALOGS OF ET-743 PHARMA MAR, S.A. (ES) 2003-03-12 EP disclosed
EP-1287004-A1 SYNTHETIC PROCESS FOR THE MANUFACTURE OF AN ECTEINASCIDIN COMPOUND PHARMA MAR, S.A. (ES) 2003-03-05 EP disclosed
EP-1280809-A1 ANTITUMORAL ECTEINASCIDIN DERIVATIVES PHARMA MAR, S.A. (ES) 2003-02-05 EP disclosed
EP-1185536-A2 HEMISYNTHETIC METHOD AND INTERMEDIATES THEREOF PHARMA MAR, S.A. (ES) 2002-03-13 EP disclosed
WO-2001087894-A1 ANTITUMORAL ANALOGS OF ET-743 PHARMA MAR, S.A. (ES) 2001-11-22 WO disclosed
WO-2001087895-A1 SYNTHETIC PROCESS FOR THE MANUFACTURE OF AN ECTEINASCHIDIN COMPOUND PHARMA MAR, S.A. (ES) 2001-11-22 WO disclosed
WO-2001077115-A1 ANTITUMORAL ECTEINASCIDIN DERIVATIVES PHARMA MAR, S.A. (ES) 2001-10-18 WO disclosed
WO-2000069862-A2 HEMISYNTHETIC METHOD AND INTERMEDIATES THEREOF PHARMA MAR, S.A. (ES) 2000-11-23 WO disclosed
US-3984379-A POLYMERIZATION CATALYSTS TEIJIN LIMITED (JA) 1976-10-05 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 (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-20220000900-A1 Oligonucleotide Analogues Incorporating 5-Aza-Cytosine Therein DCTD, DNMT3B, NT5C3B ALDH1A1 3014/4885LMNA 3943/4885L3MBTL1 548/4885
US-20210347941-A1 METHOD FOR PREPARING FUNCTIONALIZED POLYMERS FROM POLYMER ALCOHOLS ADH1C, ADH1A, ADH5 ALDH1A1 117/4885LMNA 2253/4885L3MBTL1 3711/4885
US-11237156-B2 Method and composition for detection of peptide cyclization using protein tags CACYBP, VIP, PTMS ALDH1A1 4869/4885LMNA 2858/4885L3MBTL1 3065/4885

“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.