SCHEMBL396173

SCHEMBL396173

CCOC(=O)Cc1cccc(Nc2cccc([N+](=O)[O-])c2)c1[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 9/20 0.52
MEN1 O00255 8/20 0.52
HTT P42858 2/20 0.52
HPGD P15428 2/20 0.50
NPC1 O15118 1/20 0.50
HSP90AA1 P07900 1/20 0.50
PKM P14618 1/20 0.50
CCR6 P51684 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
APOBEC3G Q9HC16 1/20 0.50
ARNT P27540 1/20 0.47
EPAS1 Q99814 1/20 0.47
AKR1C3 P42330 2/20 0.47
AKR1C2 P52895 2/20 0.47
DDX3X O00571 2/20 0.46
MITF O75030 1/20 0.46
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
MAPT P10636 3/20 0.44
ALDH1A1 P00352 3/20 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
SCHEMBL398142 0.84 ALDH1A1 (0.51) KMT2AMEN1HTTARNTEPAS1
SCHEMBL3603131 0.81 MEN1 (0.55) KMT2AMEN1HTTHPGDNPC1
SCHEMBL397590 0.81 MEN1 (0.55) KMT2AMEN1HTTHPGDNPC1
SCHEMBL396495 0.78 KMT2A (0.48) KMT2AMEN1HTTHPGDNPC1
SCHEMBL11763360 0.77 SMN1; SMN2 (0.57) KMT2AMEN1HPGDNPC1HSP90AA1
SCHEMBL21438038 0.76 ALDH1A1 (0.51) KMT2AMEN1HTTHPGDNPC1
SCHEMBL641425 0.75 MEN1 (0.59) KMT2AMEN1HTTHPGDNPC1
SCHEMBL12053317 0.75 GPR35 (0.45) KMT2AMEN1HTTPKMLMNA
SCHEMBL396494 0.74 AKR1C3 (0.52) KMT2AMEN1HTTHPGDHSP90AA1
SCHEMBL7169174 0.74 ALDH1A1 (0.56) KMT2AMEN1HTTAKR1C3AKR1C2

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 KMT2A 1437/4885MEN1 1484/4885HTT 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.