SCHEMBL684842

SCHEMBL684842

O=C(N/N=C/c1cc(Cl)ccc1O)c1cccc(Br)c1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 10/20 0.76
RAB9A P51151 9/20 0.76
MEN1 O00255 8/20 0.76
KDM4E B2RXH2 7/20 0.76
HTT P42858 6/20 0.76
LMNA P02545 4/20 0.76
SMN1; SMN2 Q16637 4/20 0.76
PSMD14 O00487 1/20 0.76
POLB P06746 1/20 0.76
MMP2 P08253 1/20 0.76
BLM P54132 1/20 0.76
KDM1A O60341 3/20 0.67
NPC1 O15118 7/20 0.66
KLF5 Q13887 2/20 0.66
MAPT P10636 6/20 0.65
MITF O75030 4/20 0.65
L3MBTL1 Q9Y468 3/20 0.65
GPR174 Q9BXC1 1/20 0.65
TDP1 Q9NUW8 3/20 0.60
BRD4 O60885 1/20 0.60

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
SCHEMBL684841 0.90 KDM1A (0.73) KMT2ARAB9AMEN1KDM4EHTT
SCHEMBL6751419 0.90 KDM1A (0.81) KMT2ARAB9AMEN1KDM4EHTT
SCHEMBL684639 0.90 KDM1A (0.81) KMT2ARAB9AMEN1KDM4EHTT
SCHEMBL6751416 0.90 KDM1A (0.81) KMT2ARAB9AMEN1KDM4EHTT
SCHEMBL26974395 0.90 KMT2A (0.70) KMT2ARAB9AMEN1KDM4EHTT
SCHEMBL20588144 0.89 KMT2A (0.81) KMT2ARAB9AMEN1KDM4EHTT
SCHEMBL20588146 0.89 KMT2A (0.81) KMT2ARAB9AMEN1KDM4EHTT
SCHEMBL22179627 0.89 KMT2A (0.81) KMT2ARAB9AMEN1KDM4EHTT
SCHEMBL684542 0.86 KMT2A (1.00) KMT2ARAB9AMEN1KDM4EHTT
SCHEMBL684844 0.86 KDM1A (0.80) KMT2ARAB9AMEN1KDM4EHTT

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 KMT2A 1362/4885RAB9A 3846/4885MEN1 536/4885

“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.