SCHEMBL685079

SCHEMBL685079

C/C(=N\NC(=O)c1ccccc1Cl)c1cc(Br)cc(Br)c1O

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.53
MAPT P10636 2/20 0.53
MEN1 O00255 2/20 0.53
OPRK1 P41145 2/20 0.53
AGTR1 P30556 1/20 0.53
ALDH1A1 P00352 2/20 0.51
CYP3A4 P08684 1/20 0.51
SMN1; SMN2 Q16637 5/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
KDM4E B2RXH2 3/20 0.49
LMNA P02545 1/20 0.47
ALOX12 P18054 1/20 0.47
HTT P42858 1/20 0.47
HSPD1 P10809 2/20 0.47
HSPE1 P61604 2/20 0.47
ATM Q13315 1/20 0.46
KDM1A O60341 1/20 0.44

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
SCHEMBL684864 0.89 NPC1 (0.59) KMT2AMAPTMEN1OPRK1SMN1; SMN2
SCHEMBL684870 0.88 RAB9A (0.57) KMT2AMAPTMEN1OPRK1ALDH1A1
SCHEMBL685078 0.86 RAB9A (0.50) KMT2AMAPTMEN1OPRK1SMN1; SMN2
SCHEMBL684693 0.84 KMT2A (0.61) KMT2AMAPTMEN1OPRK1AGTR1
SCHEMBL684860 0.84 RAB9A (0.67) KMT2AMAPTMEN1OPRK1AGTR1
SCHEMBL684714 0.81 MEN1 (0.54) KMT2AMEN1OPRK1AGTR1CYP3A4
SCHEMBL684560 0.81 ALDH1A1 (0.57) KMT2AMAPTMEN1OPRK1AGTR1
SCHEMBL684712 0.81 HSPD1 (0.55) KMT2AMAPTMEN1ALDH1A1CYP3A4
SCHEMBL685054 0.80 MAPT (0.61) KMT2AMAPTMEN1OPRK1AGTR1
SCHEMBL685357 0.80 MEN1 (0.58) KMT2AMAPTMEN1ALDH1A1CYP3A4

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 KMT2A 1362/4885MAPT 1491/4885MEN1 536/4885
US-20120021066-A1 FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER SOD1, CYP51A1, CYP4Z1 KMT2A 1224/4885MAPT 921/4885MEN1 508/4885

“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.