SCHEMBL2961298

SCHEMBL2961298

O=C(Cc1cccc(O)c1)NNC(=O)c1ccc(O)c([N+](=O)[O-])c1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
MAPT P10636 2/20 0.48
TP53 P04637 1/20 0.48
AURKB Q96GD4 1/20 0.45
GCGR P47871 1/20 0.45
KDM4E B2RXH2 1/20 0.43
GSR P00390 1/20 0.42
TXNRD1 Q16881 1/20 0.42
TXNRD3 Q86VQ6 1/20 0.42
TXNRD2 Q9NNW7 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
MAPK1 P28482 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
SCHEMBL13199237 0.84 ALDH1A1 (0.61) ALDH1A1MAPTTP53KDM4EMEN1
SCHEMBL13199158 0.83 ALDH1A1 (0.58) ALDH1A1MAPTTP53KDM4EMEN1
SCHEMBL13199173 0.81 ALDH1A1 (0.54) ALDH1A1MAPTTP53KDM4EGSR
SCHEMBL2954979 0.81 ALDH1A1 (0.46) ALDH1A1MAPTTP53GCGRKDM4E
SCHEMBL13199229 0.81 ALDH1A1 (0.62) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL13199129 0.80 ALDH1A1 (0.57) ALDH1A1MAPTTP53KDM4EMEN1
SCHEMBL13199261 0.80 CA2 (0.50) ALDH1A1KDM4EMEN1KMT2A
SCHEMBL13199258 0.80 ALDH1A1 (0.48) ALDH1A1MAPTTP53KDM4EMEN1
SCHEMBL13199110 0.79 KDM4E (0.55) ALDH1A1KDM4EMEN1KMT2A
SCHEMBL14098308 0.78 ALDH1A1 (0.43) ALDH1A1MAPTTP53KDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7767716-B2 Acyl hydrazines as kinase inhibitors, in particular for SGK MERCK PATENT GMBH (DE) 2010-08-03 US disclosed
US-7767716-B2 Acyl hydrazines as kinase inhibitors, in particular for SGK MERCK PATENT GMBH (DE) 2010-08-03 US disclosed
US-20080167380-A1 Acyl Hydrazines as Kinase Inhibitors, in Particular for Sgk MERCK PATENT GMBH (DE) 2008-07-10 US disclosed
US-20080167380-A1 Acyl Hydrazines as Kinase Inhibitors, in Particular for Sgk MERCK PATENT GMBH (DE) 2008-07-10 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-20080167380-A1 Acyl Hydrazines as Kinase Inhibitors, in Particular for Sgk SGK1, AGK, SGK2 ALDH1A1 1664/4885MAPT 4448/4885TP53 4760/4885

“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.