SCHEMBL684020

SCHEMBL684020

COc1cccc(/C(C)=N/NC(=O)c2ccccc2O)c1O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.58
SMN1; SMN2 Q16637 7/20 0.56
KDM4E B2RXH2 6/20 0.56
MAPT P10636 5/20 0.56
ALDH1A1 P00352 3/20 0.56
HTT P42858 3/20 0.56
RAB9A P51151 5/20 0.54
NPC1 O15118 5/20 0.54
POLB P06746 1/20 0.54
PKM P14618 1/20 0.54
HPGD P15428 3/20 0.52
LMNA P02545 3/20 0.52
GAA P10253 5/20 0.52
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
ATM Q13315 1/20 0.51
CTDSP1 Q9GZU7 1/20 0.51
ALPL P05186 1/20 0.49
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49

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
SCHEMBL685254 0.88 KMT2A (0.51) KDM1ASMN1; SMN2KDM4EMAPTALDH1A1
SCHEMBL684593 0.88 NPC1 (0.60) KDM1ASMN1; SMN2KDM4EMAPTALDH1A1
SCHEMBL684678 0.87 RAB9A (0.60) KDM1ASMN1; SMN2KDM4EMAPTALDH1A1
SCHEMBL684926 0.87 CYP3A4 (0.55) KDM1ASMN1; SMN2KDM4EMAPTALDH1A1
SCHEMBL684887 0.86 SMN1; SMN2 (0.56) KDM1ASMN1; SMN2KDM4EMAPTALDH1A1
SCHEMBL19283317 0.84 KDM1A (0.65) KDM1ASMN1; SMN2KDM4EMAPTALDH1A1
SCHEMBL19283315 0.84 KDM1A (0.65) KDM1ASMN1; SMN2KDM4EMAPTALDH1A1
SCHEMBL685003 0.83 RAB9A (0.56) KDM1ASMN1; SMN2KDM4EMAPTALDH1A1
SCHEMBL684673 0.83 GAA (0.57) KDM1ASMN1; SMN2KDM4EMAPTALDH1A1
SCHEMBL12388020 0.83 KDM1A (0.64) KDM1ASMN1; SMN2KDM4EMAPTALDH1A1

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 484/4885SMN1; SMN2 4107/4885KDM4E 1473/4885
US-20120021066-A1 FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER SOD1, CYP51A1, CYP4Z1 KDM1A 291/4885SMN1; SMN2 3775/4885KDM4E 1286/4885

“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.