SCHEMBL30201915

SCHEMBL30201915

NC(=O)NN=Cc1ccc([N+](=O)[O-])cc1O

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 7/20 0.55
KDM4E B2RXH2 9/20 0.55
DUSP3 P51452 1/20 0.54
PTPN5 P54829 1/20 0.54
PTPN11 Q06124 1/20 0.54
MAPT P10636 8/20 0.54
KMT2A Q03164 8/20 0.54
MEN1 O00255 7/20 0.54
LMNA P02545 3/20 0.54
TDP1 Q9NUW8 4/20 0.53
ALDH1A1 P00352 3/20 0.53
L3MBTL1 Q9Y468 3/20 0.53
PHGDH O43175 2/20 0.53
CCR6 P51684 1/20 0.53
GAA P10253 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
HKDC1 Q2TB90 1/20 0.50

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
SCHEMBL31530751 0.89 KDM4E (0.69) HTTKDM4EMAPTKMT2AMEN1
SCHEMBL30714864 0.78 MAPT (0.61) HTTKDM4EDUSP3PTPN5PTPN11
SCHEMBL8433110 0.78 MAPT (0.75) HTTKDM4EMAPTKMT2AMEN1
SCHEMBL25243618 0.78 MAPT (0.75) HTTKDM4EMAPTKMT2AMEN1
SCHEMBL15457450 0.77 MEN1 (0.77) HTTKDM4EMAPTKMT2AMEN1
SCHEMBL1520466 0.77 KDM4E (0.64) HTTKDM4EMAPTKMT2AMEN1
SCHEMBL7748744 0.77 KDM4E (0.64) HTTKDM4EMAPTKMT2AMEN1
SCHEMBL28508004 0.76 MEN1 (0.73) HTTKDM4EDUSP3PTPN5PTPN11
SCHEMBL6742179 0.76 GPR35 (0.51) HTTKDM4EMAPTKMT2AMEN1
Water SCHEMBL6576230 0.76 KDM4E (0.62) HTTKDM4EMAPTKMT2AMEN1

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-11565995-B2 Methods of forming imines, imine-related and imine-derived compounds using green solvents THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2023-01-31 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-11565995-B2 Methods of forming imines, imine-related and imine-derived compounds using green solvents IK, LDHB, IDH3B HTT 3590/4885KDM4E 2545/4885DUSP3 2038/4885

“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.