Sugi Predict

Sugi Predict / Compounds / SCHEMBL685075

SCHEMBL685075

SCHEMBL685075

C/C(=N\NC(=O)c1ccccc1Br)c1cccc([N+](=O)[O-])c1O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.57
▸ KMT2A Q03164 4/20 0.57
▸ GAA P10253 2/20 0.57
▸ MAPK1 P28482 1/20 0.57
▸ NPC1 O15118 2/20 0.54
▸ RAB9A P51151 2/20 0.54
▸ SMN1; SMN2 Q16637 2/20 0.54
▸ ALDH1A1 P00352 6/20 0.51
▸ RECQL P46063 1/20 0.51
▸ LMNA P02545 1/20 0.48
▸ HTT P42858 2/20 0.47
▸ MITF O75030 1/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ MAPT P10636 2/20 0.46
▸ CRHBP P24387 1/20 0.46

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
SCHEMBL684846 0.88 MEN1 (0.58) MEN1KMT2AGAAMAPK1NPC1
SCHEMBL684671 0.87 CRHBP (0.55) MEN1KMT2AGAAMAPK1RAB9A
SCHEMBL684674 0.86 ALDH1A1 (0.53) MEN1KMT2AGAAMAPK1NPC1
SCHEMBL684904 0.85 ALDH1A1 (0.60) MEN1KMT2AGAAMAPK1NPC1
SCHEMBL684704 0.85 MEN1 (0.54) MEN1KMT2AGAAMAPK1NPC1
SCHEMBL7800493 0.83 ALDH1A1 (0.58) MEN1KMT2AGAAMAPK1NPC1
SCHEMBL685246 0.81 ALDH1A1 (0.55) MEN1KMT2AGAAMAPK1NPC1
SCHEMBL685058 0.80 NPC1 (0.59) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL684906 0.80 ALDH1A1 (0.51) MEN1KMT2AGAAMAPK1NPC1
SCHEMBL683861 0.79 POLB (0.59) MEN1KMT2AGAAMAPK1NPC1

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 MEN1 536/4885KMT2A 1362/4885GAA 670/4885
US-20120021066-A1 FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER SOD1, CYP51A1, CYP4Z1 MEN1 508/4885KMT2A 1224/4885GAA 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.