SCHEMBL397590

SCHEMBL397590

CCOC(=O)Cc1cc(Nc2cccc([N+](=O)[O-])c2)ccc1[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.55
KMT2A Q03164 8/20 0.55
HTT P42858 2/20 0.55
HPGD P15428 2/20 0.51
NPC1 O15118 1/20 0.51
HSP90AA1 P07900 1/20 0.51
PKM P14618 1/20 0.51
CCR6 P51684 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
APOBEC3G Q9HC16 1/20 0.51
LMNA P02545 2/20 0.46
ALDH1A1 P00352 6/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
MAPT P10636 3/20 0.45
KDM4E B2RXH2 1/20 0.45
MAPK1 P28482 2/20 0.44
GAA P10253 1/20 0.44
GLO1 Q04760 1/20 0.44
DDX3X O00571 1/20 0.44
POLB P06746 1/20 0.44

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
SCHEMBL3603131 0.91 MEN1 (0.55) MEN1KMT2AHTTHPGDNPC1
SCHEMBL398027 0.83 CYP1A2 (0.55) MEN1KMT2AHTTALDH1A1SMN1; SMN2
SCHEMBL396173 0.81 KMT2A (0.52) MEN1KMT2AHTTHPGDNPC1
SCHEMBL27860292 0.80 SMN1; SMN2 (0.48) MEN1KMT2AHTTHPGDNPC1
SCHEMBL23609439 0.79 MEN1 (0.50) MEN1KMT2AHPGDNPC1LMNA
SCHEMBL394186 0.78 KMT2A (0.49) MEN1KMT2AHTTHPGDNPC1
SCHEMBL406358 0.77 MAPT (0.51) MEN1KMT2ALMNAALDH1A1MAPT
SCHEMBL25361611 0.76 ALDH1A1 (0.53) MEN1KMT2AHTTLMNAALDH1A1
SCHEMBL397495 0.76 KMT2A (0.49) MEN1KMT2AHTTHPGDNPC1
SCHEMBL641425 0.76 MEN1 (0.59) MEN1KMT2AHTTHPGDNPC1

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
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
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 MEN1 1484/4885KMT2A 1437/4885HTT 2245/4885

“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.