SCHEMBL684994

SCHEMBL684994

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

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 7/20 0.68
CYP3A4 P08684 2/20 0.58
CYP2C19 P33261 2/20 0.58
CYP1A2 P05177 1/20 0.58
GAA P10253 3/20 0.58
POLB P06746 1/20 0.58
CASP6 P55212 1/20 0.58
RAB9A P51151 4/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
KDM4E B2RXH2 1/20 0.57
ALDH1A1 P00352 1/20 0.57
MAPT P10636 1/20 0.57
PKM P14618 1/20 0.57
HTT P42858 1/20 0.57
MCL1 Q07820 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
MTOR P42345 2/20 0.56

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
SCHEMBL684839 0.90 KDM1A (0.83) KDM1ACYP3A4CYP2C19CYP1A2GAA
SCHEMBL684061 0.87 KDM1A (0.70) KDM1ACYP3A4CYP2C19CYP1A2GAA
SCHEMBL684686 0.87 CYP1A2 (0.60) KDM1ACYP3A4CYP2C19CYP1A2GAA
SCHEMBL683907 0.86 KDM1A (0.69) KDM1ACYP3A4CYP2C19CYP1A2GAA
SCHEMBL684684 0.86 KDM1A (0.72) KDM1ACYP3A4CYP2C19CYP1A2GAA
SCHEMBL684771 0.85 KDM1A (0.70) KDM1ACYP3A4CYP1A2GAAPOLB
SCHEMBL684712 0.85 HSPD1 (0.55) KDM1ACYP3A4CYP2C19CYP1A2GAA
SCHEMBL684701 0.84 KDM1A (0.77) KDM1ACYP3A4CYP2C19CYP1A2POLB
SCHEMBL684591 0.84 KDM1A (0.65) KDM1ACYP3A4CYP2C19CYP1A2GAA
SCHEMBL685062 0.83 RAB9A (0.61) KDM1ACYP3A4CYP2C19CYP1A2GAA

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-8476194-B2 Fungicidal compositions including hydrazone derivatives and copper DOW AGROSCIENCES, LLC (US) 2013-07-02 US disclosed
US-8476194-B2 Fungicidal compositions including hydrazone derivatives and copper DOW AGROSCIENCES, LLC (US) 2013-07-02 US disclosed
US-20120021066-A1 FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER DOW AGROSCIENCES LLC (US) 2012-01-26 US disclosed
US-20120021066-A1 FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER DOW AGROSCIENCES LLC (US) 2012-01-26 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

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 KDM1A 484/4885CYP3A4 48/4885CYP2C19 138/4885
US-20120021066-A1 FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER SOD1, CYP51A1, CYP4Z1 KDM1A 291/4885CYP3A4 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.