SCHEMBL394185

SCHEMBL394185

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.56
SMN1; SMN2 Q16637 1/20 0.48
AKR1C3 P42330 2/20 0.47
AKR1C2 P52895 2/20 0.47
MEN1 O00255 9/20 0.47
KMT2A Q03164 9/20 0.47
MAPT P10636 6/20 0.47
HTT P42858 4/20 0.47
POLB P06746 2/20 0.47
DDX3X O00571 1/20 0.47
CTDSP1 Q9GZU7 1/20 0.47
MAPK1 P28482 3/20 0.46
HSP90AA1 P07900 2/20 0.46
HPGD P15428 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
CACNA1B Q00975 1/20 0.46
APBA1 Q02410 1/20 0.46
NLRP1 Q9C000 1/20 0.46
LMNA P02545 3/20 0.46
BAZ1A Q9NRL2 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
SCHEMBL397494 0.91 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2AKR1C3AKR1C2MEN1
SCHEMBL394186 0.88 KMT2A (0.49) ALDH1A1SMN1; SMN2AKR1C3AKR1C2MEN1
SCHEMBL27700485 0.81 SMN1; SMN2 (0.49) ALDH1A1SMN1; SMN2AKR1C3AKR1C2MEN1
SCHEMBL396494 0.80 AKR1C3 (0.52) ALDH1A1SMN1; SMN2AKR1C3AKR1C2MEN1
SCHEMBL397495 0.79 KMT2A (0.49) ALDH1A1SMN1; SMN2AKR1C3AKR1C2MEN1
SCHEMBL16413095 0.75 ALDH1A1 (0.66) ALDH1A1SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL396110 0.74 ALDH1A1 (0.64) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL7684242 0.74 ALDH1A1 (0.64) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL30443727 0.74 ALDH1A1 (0.64) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL4262697 0.74 ALDH1A1 (0.64) ALDH1A1SMN1; SMN2AKR1C3AKR1C2MEN1

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 ALDH1A1 4834/4885SMN1; SMN2 2094/4885AKR1C3 4443/4885

“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.