SCHEMBL396863

SCHEMBL396863

O=[N+]([O-])c1cccc(Nc2ccc(F)c([N+](=O)[O-])c2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.60
HIF1A Q16665 1/20 0.60
KMT2A Q03164 6/20 0.56
MEN1 O00255 5/20 0.56
LMNA P02545 5/20 0.56
HTT P42858 4/20 0.56
MAPT P10636 3/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
NPC1 O15118 2/20 0.51
KIF11 P52732 2/20 0.50
POLB P06746 2/20 0.50
DDX3X O00571 1/20 0.50
CTDSP1 Q9GZU7 1/20 0.50
CA1 P00915 1/20 0.49
MMP2 P08253 1/20 0.49
CA14 Q9ULX7 1/20 0.49
ABCG2 Q9UNQ0 2/20 0.48
KDM4E B2RXH2 1/20 0.48
GLA P06280 1/20 0.48
GAA P10253 1/20 0.48

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
SCHEMBL5244119 0.86 MEN1 (0.68) ALDH1A1HIF1AKMT2AMEN1LMNA
SCHEMBL30234411 0.84 KMT2A (0.60) ALDH1A1KMT2AMEN1LMNAHTT
SCHEMBL394734 0.83 KMT2A (0.67) ALDH1A1KMT2AMEN1LMNAHTT
SCHEMBL30234162 0.83 KIF11 (0.57) ALDH1A1KMT2AMEN1LMNAHTT
SCHEMBL26310363 0.83 KIF11 (0.57) ALDH1A1KMT2AMEN1LMNAHTT
SCHEMBL26310347 0.81 KMT2A (0.62) ALDH1A1KMT2AMEN1LMNAHTT
SCHEMBL2717131 0.79 HPGD (0.69) ALDH1A1KMT2AMEN1LMNAHTT
SCHEMBL25822159 0.77 ALDH1A1 (0.51) ALDH1A1HIF1AKMT2AMEN1LMNA
Benzene SCHEMBL28794915 0.77 ALDH1A1 (0.92) ALDH1A1HIF1AKMT2AMEN1LMNA
SCHEMBL9243623 0.76 KMT2A (0.59) ALDH1A1KMT2AMEN1LMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8101608-B2 3-(4-Methyl-imidazol-1-yl)-N-{3-[2-oxo-3-(1H-pyrrol-2-ylmethylene)-2,3-dihydro-1H-indol-6-ylamino]-phenyl}-5-trifluoromethyl-benzamide; including benign and malignant proliferative disorders as well as diseases resulting from inappropriate activation of the immune and nervous systems IRM LLC, a Delware Limited Corporation (BM) 2012-01-24 US disclosed
US-8101608-B2 3-(4-Methyl-imidazol-1-yl)-N-{3-[2-oxo-3-(1H-pyrrol-2-ylmethylene)-2,3-dihydro-1H-indol-6-ylamino]-phenyl}-5-trifluoromethyl-benzamide; including benign and malignant proliferative disorders as well as diseases resulting from inappropriate activation of the immune and nervous systems IRM LLC, a Delware Limited Corporation (BM) 2012-01-24 US disclosed
CN-101056632-B Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2011-12-07 CN disclosed
EP-1814545-A4 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2009-06-10 EP disclosed
US-20080221192-A1 Compounds and Compositions as Protein Kinase Inhibitors IRM LLC (BM) 2008-09-11 US disclosed
US-20080221192-A1 Compounds and Compositions as Protein Kinase Inhibitors IRM LLC (BM) 2008-09-11 US disclosed
EP-1814545-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM, LLC (BM) 2007-08-08 EP disclosed
WO-2006052936-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2006-05-18 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-20080221192-A1 Compounds and Compositions as Protein Kinase Inhibitors BMX, FRK, PTK2B ALDH1A1 4834/4885HIF1A 3932/4885KMT2A 1437/4885

“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.