SCHEMBL684645

SCHEMBL684645

O=C(N/N=C/c1cc(Cl)cc([N+](=O)[O-])c1O)c1ccc(Cl)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 11/20 0.72
KMT2A Q03164 11/20 0.72
MAPT P10636 10/20 0.65
KDM4E B2RXH2 7/20 0.65
LMNA P02545 5/20 0.65
ALDH1A1 P00352 4/20 0.65
POLB P06746 3/20 0.65
TDP1 Q9NUW8 6/20 0.62
HTT P42858 6/20 0.61
MAPK1 P28482 2/20 0.61
SAE1 Q9UBE0 1/20 0.61
UBA2 Q9UBT2 1/20 0.61
SIRT1 Q96EB6 1/20 0.60
SMN1; SMN2 Q16637 3/20 0.60
BLM P54132 2/20 0.60
PSMD14 O00487 2/20 0.60
HPGD P15428 1/20 0.60
L3MBTL1 Q9Y468 3/20 0.59
RAB9A P51151 1/20 0.59
APAF1 O14727 1/20 0.57

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
SCHEMBL684619 0.92 MEN1 (0.70) MEN1KMT2AMAPTKDM4ELMNA
SCHEMBL13780402 0.84 MEN1 (1.00) MEN1KMT2AMAPTKDM4ELMNA
SCHEMBL8290634 0.83 MAPT (0.67) MEN1KMT2AMAPTKDM4ELMNA
SCHEMBL683745 0.82 MEN1 (0.67) MEN1KMT2AMAPTKDM4ELMNA
SCHEMBL684862 0.82 KDM4E (0.79) MEN1KMT2AMAPTKDM4ELMNA
SCHEMBL684777 0.81 SIRT1 (0.63) MEN1KMT2AMAPTKDM4ELMNA
SCHEMBL684819 0.80 SIRT1 (0.81) MEN1KMT2AMAPTKDM4ELMNA
SCHEMBL683820 0.79 PHGDH (0.76) MEN1KMT2AMAPTKDM4ELMNA
SCHEMBL21292827 0.79 PHGDH (0.76) MEN1KMT2AMAPTKDM4ELMNA
SCHEMBL684833 0.79 KDM1A (0.73) MEN1KMT2AMAPTKDM4ELMNA

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-20120010075-A1 SYNERGISTIC FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER DOW AGROSCIENCES LLC (US) 2012-01-12 US disclosed
US-20120010075-A1 SYNERGISTIC FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER DOW AGROSCIENCES LLC (US) 2012-01-12 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-20120010075-A1 SYNERGISTIC FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER SOD1, CYP51A1, SOD3 MEN1 536/4885KMT2A 1362/4885MAPT 1491/4885

“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.