SCHEMBL684833

SCHEMBL684833

O=C(N/N=C/c1cc(Cl)ccc1O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.73
MEN1 O00255 9/20 0.70
KMT2A Q03164 9/20 0.70
KDM4E B2RXH2 8/20 0.70
LMNA P02545 4/20 0.70
RAB9A P51151 3/20 0.70
HTT P42858 3/20 0.70
SMN1; SMN2 Q16637 3/20 0.70
POLB P06746 3/20 0.70
BLM P54132 2/20 0.70
PSMD14 O00487 1/20 0.70
MMP2 P08253 1/20 0.70
PHGDH O43175 2/20 0.69
MAPT P10636 6/20 0.68
TDP1 Q9NUW8 5/20 0.68
ALDH1A1 P00352 4/20 0.68
L3MBTL1 Q9Y468 3/20 0.68
NPC1 O15118 3/20 0.67
MITF O75030 2/20 0.67
GPR174 Q9BXC1 1/20 0.67

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
SCHEMBL683820 0.93 PHGDH (0.76) KDM1AMEN1KMT2AKDM4ELMNA
SCHEMBL21292827 0.93 PHGDH (0.76) KDM1AMEN1KMT2AKDM4ELMNA
SCHEMBL683978 0.91 MEN1 (0.61) KDM1AMEN1KMT2AKDM4ELMNA
SCHEMBL21292769 0.90 PHGDH (0.82) MEN1KMT2AKDM4ELMNAHTT
SCHEMBL21292771 0.90 PHGDH (0.82) MEN1KMT2AKDM4ELMNAHTT
SCHEMBL683720 0.87 DUSP3 (0.76) KDM1AMEN1KMT2AKDM4ELMNA
SCHEMBL6568342 0.87 KDM1A (0.89) KDM1AMEN1KMT2AKDM4ELMNA
SCHEMBL6568344 0.87 KDM1A (0.89) KDM1AMEN1KMT2AKDM4ELMNA
SCHEMBL683818 0.87 KDM1A (0.89) KDM1AMEN1KMT2AKDM4ELMNA
SCHEMBL685299 0.86 PHGDH (0.69) MEN1KMT2AKDM4ELMNARAB9A

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 KDM1A 484/4885MEN1 536/4885KMT2A 1362/4885

“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.