SCHEMBL684640

SCHEMBL684640

O=C(N/N=C/c1ccccc1O)c1cccc(Br)c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 3/20 0.73
KMT2A Q03164 5/20 0.67
HTT P42858 4/20 0.67
TDP1 Q9NUW8 3/20 0.67
LMNA P02545 2/20 0.67
KDM4E B2RXH2 2/20 0.67
POLB P06746 1/20 0.67
PTBP1 P26599 1/20 0.67
SMN1; SMN2 Q16637 1/20 0.67
DUSP3 P51452 2/20 0.66
PTPN5 P54829 2/20 0.66
PTPN11 Q06124 2/20 0.66
MAOA P21397 1/20 0.64
MAOB P27338 1/20 0.64
RAB9A P51151 3/20 0.61
NPC1 O15118 3/20 0.61
MEN1 O00255 3/20 0.61
MAPT P10636 3/20 0.61
L3MBTL1 Q9Y468 2/20 0.61
BRD4 O60885 1/20 0.61

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
SCHEMBL21145758 0.91 KMT2A (0.62) KDM1AKMT2AHTTTDP1LMNA
SCHEMBL13362125 0.91 KMT2A (0.62) KDM1AKMT2AHTTTDP1LMNA
SCHEMBL26974395 0.89 KMT2A (0.70) KDM1AKMT2AHTTTDP1LMNA
SCHEMBL22179508 0.89 MAPT (0.65) KDM1AKMT2AHTTTDP1LMNA
SCHEMBL17832066 0.87 SIRT1 (0.64) KDM1AKMT2AHTTTDP1LMNA
SCHEMBL684842 0.85 KMT2A (0.76) KDM1AKMT2AHTTTDP1LMNA
SCHEMBL26974357 0.85 MAPT (0.60) KDM1AKMT2AHTTTDP1LMNA
SCHEMBL26974374 0.85 PIK3CG (0.65) KDM1AKMT2AHTTTDP1LMNA
SCHEMBL684634 0.85 KDM1A (1.00) KDM1AKMT2AHTTTDP1LMNA
SCHEMBL6568266 0.85 KDM1A (1.00) KDM1AKMT2AHTTTDP1LMNA

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 484/4885KMT2A 1362/4885HTT 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.