SCHEMBL684602

SCHEMBL684602

C/C(=N\NC(=O)CCc1ccccc1)c1ccccc1O

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.65
RECQL P46063 1/20 0.65
KMT2A Q03164 4/20 0.61
MEN1 O00255 3/20 0.61
HTT P42858 3/20 0.60
LMNA P02545 3/20 0.56
MAPT P10636 2/20 0.54
TDP1 Q9NUW8 2/20 0.54
RAB9A P51151 1/20 0.54
OXTR P30559 1/20 0.54
NPC1 O15118 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
KDM1A O60341 1/20 0.53
DUSP3 P51452 1/20 0.51
PTPN5 P54829 1/20 0.51
PTPN11 Q06124 1/20 0.51
POLB P06746 1/20 0.50

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
SCHEMBL684601 0.86 KMT2A (0.80) KDM4EKMT2AMEN1HTTLMNA
SCHEMBL23701490 0.76 KDM1A (0.74) KDM4EKMT2AMEN1HTTLMNA
SCHEMBL684855 0.76 KDM1A (0.74) KDM4EKMT2AMEN1HTTLMNA
SCHEMBL684658 0.75 KDM1A (0.83) KDM4EKMT2AMEN1HTTMAPT
SCHEMBL27177913 0.75 POLB (0.61) KDM4ERECQLKMT2AMEN1HTT
SCHEMBL27177906 0.75 POLB (0.61) KDM4ERECQLKMT2AMEN1HTT
SCHEMBL27178321 0.75 POLB (0.61) KDM4ERECQLKMT2AMEN1HTT
SCHEMBL2065941 0.74 ALDH1A1 (0.59) KDM4ERECQLKMT2AMEN1LMNA
SCHEMBL12218528 0.72 KDM4E (0.57) KDM4EKMT2AMEN1HTTLMNA
Dihydrochalcone SCHEMBL29359372 0.72 CYP19A1 (0.80) KDM4EHTTMAPTTDP1RAB9A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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 KDM4E 1473/4885RECQL 4232/4885KMT2A 1362/4885

“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.