SCHEMBL3712466

SCHEMBL3712466

Nc1ccc(F)c(F)c1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
USP2 O75604 1/20 0.43
KEAP1 Q14145 1/20 0.43
NFE2L2 Q16236 1/20 0.43
ALDH1A1 P00352 5/20 0.42
HIF1A Q16665 1/20 0.42
TDP1 Q9NUW8 6/20 0.39
CYP3A4 P08684 3/20 0.39
MAPT P10636 2/20 0.39
POLB P06746 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 3/20 0.37
GAA P10253 1/20 0.37
THRB P10828 1/20 0.37
GRIN2D O15399 1/20 0.37
GRIN3B O60391 1/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2A Q12879 1/20 0.37
GRIN2B Q13224 1/20 0.37

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
SCHEMBL22288521 0.87 MEN1 (0.46) MEN1KMT2AUSP2KEAP1NFE2L2
SCHEMBL8066551 0.85 MEN1 (0.44) MEN1KMT2AUSP2KEAP1NFE2L2
SCHEMBL23035421 0.83 ALDH1A1 (0.42) MEN1KMT2AUSP2KEAP1NFE2L2
SCHEMBL29860351 0.82 ALDH1A1 (0.43) ALDH1A1HIF1ATDP1CYP3A4MAPT
SCHEMBL1340438 0.82 ALDH1A1 (0.43) ALDH1A1HIF1ATDP1CYP3A4MAPT
SCHEMBL18956810 0.80 MEN1 (0.41) MEN1KMT2AUSP2KEAP1NFE2L2
SCHEMBL28659258 0.80 TSHR (0.52) MEN1KMT2AUSP2KEAP1NFE2L2
SCHEMBL30391542 0.80 MEN1 (0.41) MEN1KMT2AUSP2KEAP1NFE2L2
SCHEMBL23152122 0.80 ALDH1A1 (0.44) MEN1KMT2AUSP2KEAP1NFE2L2
SCHEMBL239430 0.80 MEN1 (0.41) MEN1KMT2AUSP2KEAP1NFE2L2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012085852-A1 3,8-DIAZA-BICYCLO[4.2.0]OCT-8-YL AMIDES ACTELION PHARMACEUTICALS LTD (CH) 2012-06-28 WO disclosed
WO-2012085857-A1 3,8-DIAZA-BICYCLO[4.2.0]OCT-3-YL AMIDES ACTELION PHARMACEUTICALS LTD (CH) 2012-06-28 WO disclosed
WO-2010094415-A1 FLUORINE CONTAINING REACTIVE DYES DYSTAR COLOURS DEUTSCHLAND GMBH (DE) 2010-08-26 WO disclosed
CN-1902057-A Optical recording medium and dye MITSUBISHI CHEM CORP (JP) 2007-01-24 CN disclosed
US-20060223003-A1 Optical recording medium and dye MITSUBISHI CHEMICAL CORPORATION (JP) 2006-10-05 US disclosed
EP-1698478-A1 OPTICAL RECORDING MEDIUM AND DYE Mitsubishi Chemical Corporation (JP) 2006-09-06 EP disclosed
WO-2004046118-A2 2-4-(DI-PHENYL-AMINO)-PYRIMIDINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS BAYER PHARMACEUTICALS CORPORATION (US) 2004-06-03 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 (1 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-20060223003-A1 Optical recording medium and dye CHRM1, CACNA1S, OXER1 MEN1 3917/4885KMT2A 2763/4885USP2 4697/4885

“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.