SCHEMBL4284153

SCHEMBL4284153

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

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CES1 P23141 3/20 0.61
CA1 P00915 2/20 0.59
CA2 P00918 2/20 0.59
TDP1 Q9NUW8 1/20 0.59
MAPK1 P28482 2/20 0.57
TSHR P16473 1/20 0.57
ALDH1A1 P00352 1/20 0.57
CES2 O00748 1/20 0.53
SRD5A2 P31213 1/20 0.53
GSK3B P49841 1/20 0.52
LMNA P02545 1/20 0.52
GAA P10253 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.50
POLB P06746 2/20 0.49
MEN1 O00255 1/20 0.47
KMT2A Q03164 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
SCHEMBL28516870 0.85 MAPK1 (0.58) CES1CA1CA2TDP1MAPK1
SCHEMBL4656668 0.83 CES1 (0.65) CES1CA1CA2TDP1MAPK1
SCHEMBL31602265 0.80 CES1 (0.61) CES1CA1CA2TDP1MAPK1
SCHEMBL12532569 0.80 MAPK1 (0.62) CES1CA1CA2TDP1MAPK1
SCHEMBL476150 0.78 MAPK1 (0.60) CES1CA1CA2TDP1MAPK1
SCHEMBL20912919 0.78 TDP1 (0.62) CES1CA1CA2TDP1MAPK1
SCHEMBL7992038 0.78 MAPK1 (0.60) CES1CA1CA2TDP1MAPK1
SCHEMBL27344495 0.78 CES1 (0.53) CES1CA1CA2TDP1MAPK1
SCHEMBL923488 0.78 CES2 (0.66) CES1TSHRALDH1A1CES2LMNA
SCHEMBL29017246 0.77 ALDH1A1 (0.58) CES1CA1CA2TDP1MAPK1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4581071-A1 METHOD FOR PRODUCING A MATERIAL FOR A MEMBRANE, MATERIAL, MEMBRANE AND USE OF A MEMBRANE Forschungszentrum Jülich GmbH (DE) 2025-07-09 EP claimed
WO-2024046712-A1 METHOD FOR PRODUCING A MATERIAL FOR A MEMBRANE, MATERIAL, MEMBRANE AND USE OF A MEMBRANE Forschungszentrum Jülich GmbH (DE) 2024-03-07 WO claimed
EP-4581071-A1 METHOD FOR PRODUCING A MATERIAL FOR A MEMBRANE, MATERIAL, MEMBRANE AND USE OF A MEMBRANE Forschungszentrum Jülich GmbH (DE) 2025-07-09 EP disclosed
WO-2024046712-A1 METHOD FOR PRODUCING A MATERIAL FOR A MEMBRANE, MATERIAL, MEMBRANE AND USE OF A MEMBRANE Forschungszentrum Jülich GmbH (DE) 2024-03-07 WO disclosed
CN-115305097-A Liquid crystal aligning agent, liquid crystal alignment film and method for producing same, liquid crystal element, liquid crystal display device, and polymer JSR株式会社 2022-11-08 CN disclosed
US-20090099183-A1 PYRIMIDINES AND USES THEREOF CELL THERAPEUTICS, INC. (US) 2009-04-16 US disclosed
US-7419984-B2 Pyrimidines and uses thereof CELL THERAPEUTICS, INC. (US) 2008-09-02 US disclosed
US-20080039625-A1 Screening Methods LAUTENS MARK 2008-02-14 US disclosed
EP-1817283-A1 2-SUBSTITUTED INDOLES, THEIR PRECURSORS AND NOVEL PROCESSES FOR THE PREPARATION THEREOF Lautens, Mark (CA) 2007-08-15 EP disclosed
WO-2006047888-A1 2-SUBSTITUTED INDOLES, THEIR PRECURSORS AND NOVEL PROCESSES FOR THE PREPARATION THEREOF LAUTENS MARK (CA) 2006-05-11 WO disclosed
US-20040204386-A1 Pyrimidines and uses thereof CELL THERAPEUTICS, INC. 2004-10-14 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-20040204386-A1 Pyrimidines and uses thereof LPCAT3, LPCAT1, APRT CES1 787/4885CA1 4588/4885CA2 4385/4885
US-20080039625-A1 Screening Methods CBR3, ZKSCAN2, CRBN CES1 2589/4885CA1 3027/4885CA2 1706/4885
US-20090099183-A1 PYRIMIDINES AND USES THEREOF LPCAT3, LPCAT1, APRT CES1 650/4885CA1 4687/4885CA2 4420/4885

“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.