SCHEMBL4943689

SCHEMBL4943689

O=[N+]([O-])c1ccc(COCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c([N+](=O)[O-])c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.60
TDP1 Q9NUW8 2/20 0.53
ALDH1A1 P00352 5/20 0.52
GPR35 Q9HC97 2/20 0.52
TSHR P16473 2/20 0.52
TP53 P04637 1/20 0.52
HPGD P15428 1/20 0.52
MAPK1 P28482 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
HIF1A Q16665 1/20 0.52
TXNRD1 Q16881 1/20 0.50
TXNRD3 Q86VQ6 1/20 0.50
TXNRD2 Q9NNW7 1/20 0.50
MEN1 O00255 3/20 0.46
MAPT P10636 3/20 0.46
KMT2A Q03164 3/20 0.46
KDM4E B2RXH2 2/20 0.46
KCNJ1 P48048 1/20 0.45
ALOX5 P09917 1/20 0.45
HSPB1 P04792 3/20 0.44

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
SCHEMBL19622954 0.89 CYP1A2 (0.54) CYP1A2TDP1ALDH1A1TSHRMAPK1
SCHEMBL28530574 0.86 CYP1A2 (0.57) CYP1A2TDP1ALDH1A1GPR35TSHR
SCHEMBL27800545 0.86 CYP1A2 (0.57) CYP1A2TDP1ALDH1A1GPR35TSHR
SCHEMBL27961047 0.84 CYP1A2 (0.68) CYP1A2TDP1ALDH1A1GPR35TSHR
SCHEMBL4942315 0.84 CYP1A2 (0.58) CYP1A2TDP1ALDH1A1GPR35TSHR
SCHEMBL95713 0.83 CYP1A2 (0.54) CYP1A2TDP1ALDH1A1GPR35TSHR
SCHEMBL95714 0.83 CYP1A2 (0.54) CYP1A2TDP1ALDH1A1GPR35TSHR
SCHEMBL28046747 0.83 CYP1A2 (0.54) CYP1A2TDP1ALDH1A1GPR35TSHR
SCHEMBL5333075 0.82 CYP1A2 (0.66) CYP1A2TDP1ALDH1A1GPR35TSHR
SCHEMBL10403856 0.82 CYP1A2 (0.60) CYP1A2TDP1ALDH1A1GPR35TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4604951-A1 1-(SULFONYL)-N-PHENYLPYRROLIDINE-2-CARBOXAMIDES DERIVATIVES AND USE THEREOF AMIRA THERAPEUTICS, S.L. (ES) 2025-08-27 EP disclosed
US-12006311-B2 Compounds for use in preventing or treating cancer FUNDACIÓ HOSPITAL UNIVERSITARI VALL D'HEBRONINSTITUT DE RECERCA (ES) 2024-06-11 US disclosed
WO-2024083861-A1 1-(SULFONYL)-N-PHENYLPYRROLIDINE-2-CARBOXAMIDES DERIVATIVES AND USE THEREOF SELABTEC SCIENCES, SLU (ES) 2024-04-25 WO disclosed
EP-4356909-A1 1-(SULFONYL)-N-PHENYLPYRROLIDINE-2-CARBOXAMIDES DERIVATIVES AND USE THEREOF Selabtec Sciences, SLU (ES) 2024-04-24 EP disclosed
EP-3271468-B1 DEAMINATION OF ORGANOPHOSPHORUS-NUCLEOSIDES LABORATORIO TECNICO DE SEGURIDAD Y ESTANDARIZACION SL (ES) 2022-12-14 EP disclosed
EP-3813832-B1 COMPOUNDS FOR USE IN PREVENTING OR TREATING CANCER FUNDACIO HOSPITAL UNIV VALL DHEBRON INSTITUT DE RECERCA (ES) 2022-11-09 EP disclosed
CN-107849594-B Deamination of organophosphorus nucleosides 科技学专业学院有限公司 2022-01-18 CN disclosed
US-20210230150-A1 COMPOUNDS FOR USE IN PREVENTING OR TREATING CANCER AMIRA THERAPEUTICS, S.L. (ES) 2021-07-29 US disclosed
EP-3813832-A1 COMPOUNDS FOR USE IN PREVENTING OR TREATING CANCER Fundació Hospital Universitari Vall d'Hebron - Institut de Recerca (ES) 2021-05-05 EP disclosed
CN-107849594-A The deaminizating of organophosphor nucleosides 科技学专业学院有限公司 2018-03-27 CN disclosed
EP-1399399-A1 REDUCED SENSITIVITY, MELT-POURABLE TRITONAL REPLACEMENTS ALLIANT TECHSYSTEMS INC. (US) 2004-03-24 EP disclosed
US-6648998-B2 Mixture; replacement of trinitrotoluene with (mono or di)nitro aromatic compounds ALLIANT TECHSYSTEMS INC. 2003-11-18 US disclosed
US-20030140993-A1 Reduced sensitivity, melt-pourable tritonal replacements NORTHROP GRUMMAN SYSTEMS CORPORATION 2003-07-31 US disclosed
WO-2003002485-A1 REDUCED SENSITIVITY, MELT-POURABLE TRITONAL REPLACEMENTS ALLIANT TECHSYSTEMS INC. (US) 2003-01-09 WO disclosed
WO-2003002486-A1 REDUCED SENSITIVITY, MELT-POURABLE TNT REPLACEMENTS ALLIANT TECHSYSTEMS INC. (US) 2003-01-09 WO disclosed
US-20030005988-A1 Reduced sensitivity, melt-pourable TNT replacements NORTHROP GRUMMAN SYSTEMS CORPORATION 2003-01-09 US disclosed
EP-1248755-A1 REDUCED SENSITIVITY MELT-CAST EXPLOSIVES ALLIANT TECHSYSTEMS INC. (US) 2002-10-16 EP disclosed
US-20020038682-A1 Reduced sensitivity melt-cast explosives Northrop Grumman Innovation Systems, Inc. 2002-04-04 US disclosed
WO-2001046091-A1 REDUCED SENSITIVITY MELT-CAST EXPLOSIVES DOLL, DANIEL, W. 2001-06-28 WO disclosed
WO-2001046092-A1 REDUCED SENSITIVITY MELT-CAST EXPLOSIVES ALLIANT TECHSYSTEMS INC. (US) 2001-06-28 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-20210230150-A1 COMPOUNDS FOR USE IN PREVENTING OR TREATING CANCER UGT1A3, UGT1A1, UGT1A6 CYP1A2 34/4885TDP1 1650/4885ALDH1A1 14/4885
US-12006311-B2 Compounds for use in preventing or treating cancer UGT1A3, UGT1A1, UGT1A6 CYP1A2 34/4885TDP1 1650/4885ALDH1A1 14/4885

“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.