SCHEMBL397661

SCHEMBL397661

O=C1Cc2ccc(NC(=O)Nc3cccc([N+](=O)[O-])c3)cc2N1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.63
KMT2A Q03164 8/20 0.63
MAPT P10636 6/20 0.63
HTT P42858 5/20 0.63
POLB P06746 3/20 0.63
DDX3X O00571 2/20 0.63
CTDSP1 Q9GZU7 1/20 0.63
NPC1 O15118 3/20 0.62
RAB9A P51151 2/20 0.62
BAZ1A Q9NRL2 4/20 0.61
GAA P10253 2/20 0.56
LMNA P02545 2/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
CA12 O43570 2/20 0.54
CA1 P00915 2/20 0.54
CA2 P00918 2/20 0.54
CA9 Q16790 2/20 0.54
MAPK1 P28482 2/20 0.54
CA5A P35218 1/20 0.54
CA5B Q9Y2D0 1/20 0.54

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
SCHEMBL396156 0.81 DDX3X (0.59) DDX3X
SCHEMBL24430219 0.80 MEN1 (0.57) MEN1KMT2AMAPTPOLBNPC1
SCHEMBL1047211 0.79 MEN1 (1.00) MEN1KMT2AMAPTHTTPOLB
SCHEMBL17084065 0.78 MEN1 (0.96) MEN1KMT2AMAPTHTTPOLB
SCHEMBL18302919 0.77 MEN1 (0.63) MEN1KMT2AMAPTPOLBNPC1
SCHEMBL2993057 0.77 TDP2 (0.67) MEN1KMT2AMAPTRAB9AGAA
SCHEMBL4034237 0.76 CASP3 (0.58) MEN1KMT2AMAPTHTTNPC1
SCHEMBL5641387 0.76 MEN1 (0.69) MEN1KMT2AMAPTHTTPOLB
SCHEMBL6129390 0.75 MEN1 (0.90) MEN1KMT2AMAPTHTTPOLB
SCHEMBL3601882 0.75 KIF11 (0.46) NPC1RAB9AKIF11CASP3SENP7

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 10 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
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
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 MEN1 1484/4885KMT2A 1437/4885MAPT 1205/4885

“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.