SCHEMBL10092011

SCHEMBL10092011

CC1OC(Cc2cccc(Nc3cccc([N+](=O)[O-])c3)c2[N+](=O)[O-])O1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ARNT P27540 1/20 0.48
EPAS1 Q99814 1/20 0.48
AKR1C3 P42330 3/20 0.44
AKR1C2 P52895 3/20 0.44
DDX3X O00571 2/20 0.41
KMT2A Q03164 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
P2RY2 P41231 1/20 0.39
ALDH1A1 P00352 3/20 0.39
ALOX12 P18054 2/20 0.39
HPGD P15428 1/20 0.39
MAPT P10636 3/20 0.39
POLB P06746 2/20 0.39
MEN1 O00255 1/20 0.39
HTT P42858 1/20 0.39
CTDSP1 Q9GZU7 1/20 0.39
PTK6 Q13882 1/20 0.38
LMNA P02545 1/20 0.38
KDM4E B2RXH2 1/20 0.38
GLA P06280 1/20 0.38

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 0.75 ALDH1A1 (0.51) ARNTEPAS1AKR1C3AKR1C2DDX3X
SCHEMBL396173 0.72 KMT2A (0.52) ARNTEPAS1AKR1C3AKR1C2DDX3X
SCHEMBL398778 0.72 ARNT (0.56) ARNTEPAS1AKR1C3AKR1C2DDX3X
SCHEMBL394734 0.68 KMT2A (0.67) DDX3XKMT2ASMN1; SMN2ALDH1A1ALOX12
SCHEMBL7169174 0.68 ALDH1A1 (0.56) AKR1C3AKR1C2DDX3XKMT2ASMN1; SMN2
SCHEMBL396494 0.66 AKR1C3 (0.52) ARNTEPAS1AKR1C3AKR1C2DDX3X
SCHEMBL15740066 0.65 ARNT (1.00) ARNTEPAS1KMT2AALDH1A1MAPT
SCHEMBL29779874 0.65 AKR1C3 (0.67) AKR1C3AKR1C2DDX3XKMT2ASMN1; SMN2
SCHEMBL2717131 0.64 HPGD (0.69) DDX3XKMT2ASMN1; SMN2ALDH1A1ALOX12
SCHEMBL7708956 0.64 MAPT (0.63) ARNTEPAS1AKR1C3AKR1C2DDX3X

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 2 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-20080221192-A1 Compounds and Compositions as Protein Kinase Inhibitors IRM LLC (BM) 2008-09-11 US 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 ARNT 3071/4885EPAS1 2137/4885AKR1C3 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.