SCHEMBL6740488

SCHEMBL6740488

COc1ccc(N(N=O)c2ccc(NC(=O)OCc3cccnc3)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.54
KMT2A Q03164 2/20 0.53
MEN1 O00255 1/20 0.53
ALDH1A1 P00352 1/20 0.53
LMNA P02545 1/20 0.53
MAPT P10636 1/20 0.53
HTT P42858 1/20 0.53
CRHBP P24387 1/20 0.49
CRHR2 Q13324 1/20 0.49
KDM4E B2RXH2 1/20 0.49
POLB P06746 2/20 0.47
TDP1 Q9NUW8 1/20 0.46
HDAC3 O15379 2/20 0.46
HDAC4 P56524 2/20 0.46
HDAC1 Q13547 2/20 0.46
HDAC7 Q8WUI4 2/20 0.46
HDAC2 Q92769 2/20 0.46
HDAC10 Q969S8 2/20 0.46
HDAC11 Q96DB2 2/20 0.46
HDAC8 Q9BY41 2/20 0.46

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
SCHEMBL4822201 0.89 NAMPT (0.65) NAMPTKMT2AMEN1ALDH1A1LMNA
SCHEMBL6738542 0.87 TP53 (0.54) ALDH1A1LMNAMAPTHTTPOLB
SCHEMBL6743382 0.86 NAMPT (0.61) NAMPTKMT2AMEN1ALDH1A1LMNA
SCHEMBL6743558 0.82 NAMPT (0.51) NAMPTKMT2AMEN1ALDH1A1LMNA
SCHEMBL7258750 0.81 KEAP1 (0.51) HTTGAA
SCHEMBL6741490 0.80 KMT2A (0.63) KMT2AMEN1ALDH1A1LMNAMAPT
SCHEMBL8211195 0.78 NAMPT (0.68) NAMPTKMT2AMEN1ALDH1A1LMNA
SCHEMBL6350923 0.77 GAA (0.79) KMT2AMEN1ALDH1A1LMNAMAPT
SCHEMBL2056379 0.77 NAMPT (0.67) NAMPTKMT2AMEN1ALDH1A1LMNA
SCHEMBL11563747 0.76 NAMPT (0.77) NAMPTKMT2AMEN1ALDH1A1LMNA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040063783-A1 Nitroso diphenylamine derivatives MERCK PATENT GMBH (DE) 2004-04-01 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-20040063783-A1 Nitroso diphenylamine derivatives NQO2, SULT1A1, NAT1 NAMPT 1191/4885KMT2A 531/4885MEN1 3077/4885

“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.