SCHEMBL394186

SCHEMBL394186

CCOC(=O)C(C(=O)O)c1cc(Nc2cccc([N+](=O)[O-])c2)ccc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.49
MEN1 O00255 7/20 0.49
HPGD P15428 2/20 0.49
NPC1 O15118 1/20 0.49
HSP90AA1 P07900 1/20 0.49
PKM P14618 1/20 0.49
CCR6 P51684 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
APOBEC3G Q9HC16 1/20 0.49
MITF O75030 1/20 0.45
LMNA P02545 1/20 0.45
HTT P42858 2/20 0.44
AKR1C3 P42330 2/20 0.43
AKR1C2 P52895 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
ALDH1A1 P00352 4/20 0.43
POLB P06746 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
SETD7 Q8WTS6 1/20 0.43
DDX3X O00571 1/20 0.42

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
SCHEMBL397495 0.92 KMT2A (0.49) KMT2AMEN1HPGDNPC1HSP90AA1
SCHEMBL394185 0.88 ALDH1A1 (0.56) KMT2AMEN1HPGDNPC1HSP90AA1
SCHEMBL396495 0.83 KMT2A (0.48) KMT2AMEN1HPGDNPC1HSP90AA1
SCHEMBL27340179 0.79 MAPT (0.48) KMT2AMEN1PKMNPSR1LMNA
SCHEMBL397494 0.79 ALDH1A1 (0.56) KMT2AMEN1HPGDHSP90AA1PKM
SCHEMBL397590 0.78 MEN1 (0.55) KMT2AMEN1HPGDNPC1HSP90AA1
SCHEMBL396111 0.77 MAPT (0.47) KMT2AMEN1PKMLMNAHTT
SCHEMBL27700485 0.77 SMN1; SMN2 (0.49) KMT2AMEN1HPGDHSP90AA1NPSR1
SCHEMBL4262705 0.76 MAPT (0.48) KMT2AMEN1NPC1LMNAAKR1C3
SCHEMBL3603131 0.76 MEN1 (0.55) KMT2AMEN1HPGDNPC1HSP90AA1

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 5 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
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
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 1484/4885HPGD 4861/4885

“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.