SCHEMBL396228

SCHEMBL396228

CCOC(=O)Cc1ccc(Oc2cccc([N+](=O)[O-])c2)cc1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.48
MEN1 O00255 4/20 0.48
HTT P42858 1/20 0.48
ALDH1A1 P00352 5/20 0.47
TDP1 Q9NUW8 1/20 0.47
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
LPAR3 Q9UBY5 1/20 0.45
GLO1 Q04760 1/20 0.45
KDM4E B2RXH2 3/20 0.43
MAPT P10636 2/20 0.43
LMNA P02545 2/20 0.43
GAA P10253 1/20 0.43
MAPK1 P28482 1/20 0.43
RAB9A P51151 1/20 0.42
LTA4H P09960 1/20 0.42
PTGS2 P35354 1/20 0.42
CACNA1F O60840 1/20 0.42
ADORA3 P0DMS8 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
SCHEMBL492505 0.84 CYP1A2 (0.64) KMT2AMEN1HTTALDH1A1TDP1
SCHEMBL3576243 0.82 MEN1 (0.56) KMT2AMEN1HTTALDH1A1TDP1
SCHEMBL14334549 0.82 MAPT (0.57) KMT2AMEN1ALDH1A1CYP2C19MAPT
SCHEMBL3603131 0.81 MEN1 (0.55) KMT2AMEN1HTTALDH1A1TDP1
SCHEMBL11481939 0.80 APP (0.50) KMT2AMEN1HTTALDH1A1KDM4E
SCHEMBL10348330 0.80 CYP1A2 (0.74) KMT2AMEN1HTTALDH1A1TDP1
SCHEMBL3138893 0.78 ALDH1A1 (0.53) KMT2AMEN1HTTALDH1A1TDP1
SCHEMBL21824254 0.78 ALDH1A1 (0.57) KMT2AHTTALDH1A1TDP1CYP1A2
SCHEMBL13400411 0.78 TSHR (0.49) KMT2AALDH1A1TDP1CYP1A2CYP2C9
SCHEMBL14572101 0.77 L3MBTL1 (0.53) KMT2AMEN1HTTALDH1A1MAPT

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.