SCHEMBL684694

SCHEMBL684694

C/C(=N\NC(=O)c1ccccc1C)c1cccc(Cl)c1O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.56
MAPT P10636 4/20 0.56
ALDH1A1 P00352 2/20 0.56
MEN1 O00255 2/20 0.56
KDM4E B2RXH2 2/20 0.56
POLB P06746 1/20 0.56
APEX1 P27695 1/20 0.56
MAPK1 P28482 1/20 0.56
RECQL P46063 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
ATM Q13315 1/20 0.53
CYP3A4 P08684 1/20 0.52
AGTR1 P30556 1/20 0.51
OPRK1 P41145 1/20 0.51
RAB9A P51151 2/20 0.50
DHODH Q02127 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.48
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 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
SCHEMBL685054 0.90 MAPT (0.61) KMT2AMAPTALDH1A1MEN1KDM4E
SCHEMBL684699 0.88 KDM1A (0.57) KMT2AMAPTALDH1A1MEN1KDM4E
SCHEMBL684513 0.86 KMT2A (0.55) KMT2AMAPTALDH1A1MEN1KDM4E
SCHEMBL685058 0.85 NPC1 (0.59) KMT2AMAPTALDH1A1MEN1KDM4E
SCHEMBL683714 0.85 CYP3A4 (0.64) KMT2AMAPTALDH1A1MEN1KDM4E
SCHEMBL423694 0.85 CYP3A4 (0.64) KMT2AMAPTALDH1A1MEN1KDM4E
SCHEMBL685108 0.83 CYP3A4 (0.57) KMT2AMAPTALDH1A1MEN1KDM4E
SCHEMBL685254 0.82 KMT2A (0.51) KMT2AMAPTALDH1A1MEN1KDM4E
SCHEMBL683729 0.81 KDM1A (0.67) KMT2AMAPTALDH1A1MEN1KDM4E
SCHEMBL684038 0.81 CYP3A4 (0.59) KMT2AMAPTALDH1A1MEN1KDM4E

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 1491/4885ALDH1A1 127/4885
US-20120021066-A1 FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER SOD1, CYP51A1, CYP4Z1 KMT2A 1224/4885MAPT 921/4885ALDH1A1 115/4885

“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.