SCHEMBL684571

SCHEMBL684571

O=C(N/N=C/c1c(O)cccc1Cl)c1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.61
CYP3A4 P08684 1/20 0.61
CYP2C19 P33261 1/20 0.61
KDM1A O60341 3/20 0.58
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
NPC1 O15118 5/20 0.53
RAB9A P51151 4/20 0.53
MAPT P10636 3/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
KDM4E B2RXH2 1/20 0.53
ALDH1A1 P00352 1/20 0.53
MAPK1 P28482 1/20 0.53
TDP1 Q9NUW8 2/20 0.53
MAOA P21397 1/20 0.52
MAOB P27338 1/20 0.52
HTT P42858 2/20 0.52
HPGD P15428 1/20 0.52
POLB P06746 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.50

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
SCHEMBL661128 0.90 RAB9A (0.57) CYP1A2CYP3A4CYP2C19KDM1AMEN1
SCHEMBL683983 0.90 RAB9A (0.57) CYP1A2CYP3A4CYP2C19KDM1AMEN1
SCHEMBL685019 0.89 CYP1A2 (0.66) CYP1A2CYP3A4CYP2C19KDM1AMEN1
SCHEMBL684652 0.88 KDM1A (0.70) CYP1A2CYP3A4CYP2C19KDM1AMEN1
SCHEMBL684969 0.88 KDM1A (0.61) CYP1A2CYP3A4CYP2C19KDM1AMEN1
SCHEMBL10053112 0.87 KDM1A (0.54) CYP1A2CYP3A4CYP2C19KDM1AMEN1
SCHEMBL683982 0.87 CYP1A2 (0.63) CYP1A2CYP3A4CYP2C19KDM1AMEN1
SCHEMBL684653 0.86 KMT2A (0.67) CYP3A4KDM1AMEN1KMT2ARAB9A
SCHEMBL684775 0.85 CYP1A2 (0.85) CYP1A2CYP3A4CYP2C19KDM1AMEN1
SCHEMBL684572 0.84 NPC1 (0.54) CYP1A2CYP3A4CYP2C19KDM1AMEN1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8715745-B2 Fungicidal compositions including hydrazone derivatives and copper DOW AGROSCIENCES, LLC. (US) 2014-05-06 US disclosed
US-8715745-B2 Fungicidal compositions including hydrazone derivatives and copper DOW AGROSCIENCES, LLC. (US) 2014-05-06 US disclosed
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
US-20120009274-A1 FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER DOW AGROSCIENCES LLC (US) 2012-01-12 US disclosed
US-20120009274-A1 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 (2 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 CYP1A2 11/4885CYP3A4 48/4885CYP2C19 138/4885
US-20120009274-A1 FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER SOD1, CYP51A1, CYP4Z1 CYP1A2 12/4885CYP3A4 71/4885CYP2C19 120/4885

“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.