SCHEMBL994270

SCHEMBL994270

Cc1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-]

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.66
TDP1 Q9NUW8 4/20 0.66
CYP3A4 P08684 3/20 0.66
TSHR P16473 2/20 0.66
HPGD P15428 1/20 0.66
ALOX15 P16050 1/20 0.66
HIF1A Q16665 1/20 0.66
TXNRD1 Q16881 1/20 0.66
TXNRD3 Q86VQ6 1/20 0.66
TXNRD2 Q9NNW7 1/20 0.66
MAPK1 P28482 5/20 0.56
PTPN5 P54829 1/20 0.54
MAPT P10636 3/20 0.50
GAA P10253 2/20 0.50
LMNA P02545 2/20 0.50
KDM4E B2RXH2 2/20 0.47
PLK1 P53350 1/20 0.46
POLB P06746 1/20 0.46
ALOX12 P18054 1/20 0.46
L3MBTL1 Q9Y468 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
SCHEMBL19585205 0.92 ALDH1A1 (0.61) ALDH1A1TDP1CYP3A4TSHRHPGD
SCHEMBL28211157 0.87 ALDH1A1 (0.70) ALDH1A1TDP1CYP3A4TSHRHPGD
SCHEMBL10443431 0.87 CYP3A4 (0.66) ALDH1A1TDP1CYP3A4TSHRHPGD
SCHEMBL12955064 0.84 ALDH1A1 (0.53) ALDH1A1TDP1CYP3A4TSHRHPGD
SCHEMBL22927059 0.84 TSHR (0.47) ALDH1A1TDP1CYP3A4TSHRHPGD
SCHEMBL12499482 0.83 MAPT (0.56) ALDH1A1TDP1CYP3A4TSHRHPGD
SCHEMBL12329596 0.81 ALDH1A1 (0.72) ALDH1A1TDP1CYP3A4TSHRHPGD
SCHEMBL11343876 0.81 ALDH1A1 (0.79) ALDH1A1TDP1CYP3A4TSHRHPGD
SCHEMBL1529083 0.81 ALDH1A1 (0.58) ALDH1A1TDP1CYP3A4TSHRHPGD
SCHEMBL18299297 0.81 ALDH1A1 (0.58) ALDH1A1TDP1CYP3A4TSHRHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250205344-A1 2,4-DIOXOTETRAHYDROPYRIMIDINYL DERATIVES AS DEGRONS IN PROTACS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2025-06-26 US disclosed
EP-4499628-A1 2,4-DIOXOTETRAHYDROPYRIMIDINYL DERIVATIVES AS DEGRONS IN PROTACS GlaxoSmithKline Intellectual Property Development Limited (GB) 2025-02-05 EP disclosed
CN-117924087-A Safe and environment-friendly preparation method of dinitroaromatic hydrocarbon 福州大学 2024-04-26 CN disclosed
US-11806661-B2 Polymer and method for producing the same, gas separation membrane, gas separation module, and gas separation apparatus using the polymer, and m-phenylenediamine compound FUJIFILM CORPORATION (JP) 2023-11-07 US disclosed
US-11806661-B2 Polymer and method for producing the same, gas separation membrane, gas separation module, and gas separation apparatus using the polymer, and m-phenylenediamine compound FUJIFILM CORPORATION (JP) 2023-11-07 US disclosed
WO-2023180388-A1 2,4-DIOXOTETRAHYDROPYRIMIDINYL DERIVATIVES AS DEGRONS IN PROTACS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2023-09-28 WO disclosed
US-20230225201-A1 Organic Light Emitting Diode and Device Comprising the Same NOVALED GMBH (DE) 2023-07-13 US disclosed
US-20210394113-A1 POLYMER AND METHOD FOR PRODUCING THE SAME, GAS SEPARATION MEMBRANE, GAS SEPARATION MODULE, AND GAS SEPARATION APPARATUS USING THE POLYMER, AND m-PHENYLENEDIAMINE COMPOUND FUJIFILM CORPORATION (JP) 2021-12-23 US disclosed
CN-107840826-B 1H-indazole derivatives and application thereof as IDO (intermediate bonded oxygen) inhibitor 西华大学 2021-07-09 CN disclosed
US-9175006-B2 Compositions and methods for cyclofructans as separation agents BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2015-11-03 US disclosed
US-20100130496-A1 PYRIMIDINE DERIVATIVES AS INHIBITORS OF PHOSPHATIDYLINOSITOL-3-KINASE F. HOFFMANN-LA ROCHE AG (CH) 2010-05-27 US disclosed
EP-2150546-A2 PYRIMIDINE DERIVATIVES AS INHIBITORS OF PHOSPHATIDYLINOSITOL-3-KINASE F. Hoffmann-Roche AG (CH) 2010-02-10 EP disclosed
EP-2146981-A1 PHARMACEUTICAL COMPOUNDS F. Hoffmann-Roche AG (CH) 2010-01-27 EP disclosed
US-20100016306-A1 PYRIMIDINE DERIVATIVES AS PI3K INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2010-01-21 US disclosed
WO-2009053715-A1 THIENOPYRIMIDIENE DERIVATIVES AS PI3K INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-04-30 WO disclosed
EP-2032582-A1 PYRIMIDINE DERIVATIVES AS PI3K INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2009-03-11 EP disclosed
WO-2008125833-A1 PHARMACEUTICAL COMPOUNDS PIRAMED LIMITED (GB) 2008-10-23 WO disclosed
WO-2008125839-A2 PYRIMIDINE DERIVATIVES AS INHIBITORS OF PHOSPHATIDYLINOSITOL-3-KINASE PIRAMED LIMITED (GB) 2008-10-23 WO disclosed
WO-2007122410-A1 PYRIMIDINE DERIVATIVES AS PI3K INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2007-11-01 WO disclosed
WO-2007122410-A1 PYRIMIDINE DERIVATIVES AS PI3K INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2007-11-01 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 (5 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-20210394113-A1 POLYMER AND METHOD FOR PRODUCING THE SAME, GAS SEPARATION MEMBRANE, GAS SEPARATION MODULE, AND GAS SEPARATION APPARATUS USING THE POLYMER, AND m-PHENYLENEDIAMINE COMPOUND PRMT9, PRMT1, PNMT ALDH1A1 2452/4885TDP1 2677/4885CYP3A4 1289/4885
US-20100130496-A1 PYRIMIDINE DERIVATIVES AS INHIBITORS OF PHOSPHATIDYLINOSITOL-3-KINASE PIK3CA, PIP5K1B, PIK3CD ALDH1A1 2499/4885TDP1 380/4885CYP3A4 1720/4885
US-20100016306-A1 PYRIMIDINE DERIVATIVES AS PI3K INHIBITORS PIK3CA, PIK3CD, PIK3CB ALDH1A1 2864/4885TDP1 256/4885CYP3A4 1610/4885
US-20250205344-A1 2,4-DIOXOTETRAHYDROPYRIMIDINYL DERATIVES AS DEGRONS IN PROTACS CRBN, AR, GNRHR ALDH1A1 3146/4885TDP1 3924/4885CYP3A4 1468/4885
US-11806661-B2 Polymer and method for producing the same, gas separation membrane, gas separation module, and gas separation apparatus using the polymer, and m-phenylenediamine compound PRMT9, PRMT1, PNMT ALDH1A1 2452/4885TDP1 2677/4885CYP3A4 1289/4885

“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.