SCHEMBL684550

SCHEMBL684550

O=C(N/N=C/c1cc(Cl)cc(Br)c1O)c1ccccc1Br

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.74
MAPT P10636 7/20 0.74
HTT P42858 7/20 0.74
KDM4E B2RXH2 7/20 0.74
MEN1 O00255 6/20 0.74
SIRT1 Q96EB6 5/20 0.56
FTO Q9C0B1 1/20 0.56
SMN1; SMN2 Q16637 4/20 0.54
LMNA P02545 2/20 0.54
ALOX12 P18054 1/20 0.54
PIK3CG P48736 2/20 0.52
ALDH1A1 P00352 2/20 0.51
GAA P10253 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
NPC1 O15118 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
POLB P06746 1/20 0.49
USP2 O75604 1/20 0.49
MCOLN3 Q8TDD5 1/20 0.49
TDP1 Q9NUW8 1/20 0.49

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
SCHEMBL684779 0.91 KDM4E (0.72) KMT2AMAPTHTTKDM4EMEN1
SCHEMBL21145681 0.91 KDM4E (0.72) KMT2AMAPTHTTKDM4EMEN1
SCHEMBL684554 0.91 KMT2A (0.65) KMT2AMAPTHTTKDM4EMEN1
SCHEMBL1638610 0.91 KMT2A (0.65) KMT2AMAPTHTTKDM4EMEN1
SCHEMBL684620 0.91 KMT2A (0.65) KMT2AMAPTHTTKDM4EMEN1
SCHEMBL1638608 0.91 KMT2A (0.65) KMT2AMAPTHTTKDM4EMEN1
SCHEMBL684826 0.89 KMT2A (0.60) KMT2AMAPTHTTKDM4EMEN1
SCHEMBL684524 0.89 KMT2A (0.60) KMT2AMAPTHTTKDM4EMEN1
SCHEMBL21145746 0.86 MAPT (0.65) KMT2AMAPTHTTKDM4EMEN1
SCHEMBL21145749 0.86 MAPT (0.65) KMT2AMAPTHTTKDM4EMEN1

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 1362/4885MAPT 1491/4885HTT 386/4885

“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.