SCHEMBL684079

SCHEMBL684079

C/C(=N\NC(=O)c1cccc(C)c1O)c1cc(Cl)cc(Cl)c1O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.51
KMT2A Q03164 4/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
MEN1 O00255 3/20 0.51
LMNA P02545 1/20 0.51
GAA P10253 1/20 0.51
KDM4E B2RXH2 3/20 0.48
RAB9A P51151 2/20 0.48
NPC1 O15118 1/20 0.48
HTT P42858 1/20 0.48
KDM1A O60341 2/20 0.47
POLB P06746 2/20 0.47
HSP90AA1 P07900 1/20 0.47
MAPT P10636 3/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
APEX1 P27695 1/20 0.44
MAPK1 P28482 1/20 0.44
RECQL P46063 1/20 0.44
DHODH Q02127 1/20 0.43
CYP3A4 P08684 1/20 0.43

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
SCHEMBL684513 0.91 KMT2A (0.55) ALDH1A1KMT2ASMN1; SMN2MEN1LMNA
SCHEMBL684689 0.91 ALDH1A1 (0.54) ALDH1A1KMT2ASMN1; SMN2MEN1LMNA
SCHEMBL684560 0.86 ALDH1A1 (0.57) ALDH1A1KMT2ASMN1; SMN2MEN1LMNA
SCHEMBL685051 0.86 MEN1 (0.49) ALDH1A1KMT2ASMN1; SMN2MEN1LMNA
SCHEMBL685082 0.85 KDM1A (0.58) ALDH1A1KMT2ASMN1; SMN2MEN1LMNA
SCHEMBL685332 0.85 SMN1; SMN2 (0.48) ALDH1A1KMT2ASMN1; SMN2MEN1LMNA
SCHEMBL684768 0.83 SMN1; SMN2 (0.55) ALDH1A1KMT2ASMN1; SMN2MEN1LMNA
SCHEMBL659320 0.82 KDM1A (0.55) ALDH1A1KMT2ASMN1; SMN2MEN1LMNA
SCHEMBL684916 0.82 KDM1A (0.55) ALDH1A1KMT2ASMN1; SMN2MEN1LMNA
SCHEMBL683780 0.81 KDM1A (0.60) ALDH1A1KMT2ASMN1; SMN2MEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120141597-A1 FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER DOW AGROSCIENCES LLC (US) 2012-06-07 US disclosed
US-20120141597-A1 FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER DOW AGROSCIENCES LLC (US) 2012-06-07 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 ALDH1A1 127/4885KMT2A 1362/4885SMN1; SMN2 4107/4885
US-20120141597-A1 FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER SOD1, CYP51A1, CYP4Z1 ALDH1A1 115/4885KMT2A 1224/4885SMN1; SMN2 3775/4885

“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.