SCHEMBL684513

SCHEMBL684513

C/C(=N\NC(=O)c1ccccc1C)c1cc(Cl)cc(Cl)c1O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.55
ALDH1A1 P00352 3/20 0.55
MEN1 O00255 3/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
LMNA P02545 1/20 0.55
GAA P10253 1/20 0.55
DHODH Q02127 1/20 0.53
KDM1A O60341 1/20 0.51
ATM Q13315 1/20 0.50
MAPT P10636 4/20 0.47
KDM4E B2RXH2 2/20 0.47
RAB9A P51151 1/20 0.47
POLB P06746 1/20 0.47
APEX1 P27695 1/20 0.47
MAPK1 P28482 1/20 0.47
RECQL P46063 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CYP3A4 P08684 1/20 0.46
HTT P42858 1/20 0.46
NPSR1 Q6W5P4 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
SCHEMBL684079 0.91 ALDH1A1 (0.51) KMT2AALDH1A1MEN1SMN1; SMN2LMNA
SCHEMBL684560 0.90 ALDH1A1 (0.57) KMT2AALDH1A1MEN1SMN1; SMN2LMNA
SCHEMBL685082 0.89 KDM1A (0.58) KMT2AALDH1A1MEN1SMN1; SMN2LMNA
SCHEMBL684689 0.87 ALDH1A1 (0.54) KMT2AALDH1A1MEN1SMN1; SMN2LMNA
SCHEMBL684768 0.86 SMN1; SMN2 (0.55) KMT2AALDH1A1MEN1SMN1; SMN2LMNA
SCHEMBL684694 0.86 KMT2A (0.56) KMT2AALDH1A1MEN1SMN1; SMN2DHODH
SCHEMBL684551 0.85 KDM1A (0.70) KMT2AALDH1A1MEN1SMN1; SMN2LMNA
SCHEMBL684920 0.84 SMN1; SMN2 (0.52) KMT2AALDH1A1MEN1SMN1; SMN2LMNA
SCHEMBL685051 0.84 MEN1 (0.49) KMT2AALDH1A1MEN1SMN1; SMN2LMNA
SCHEMBL684051 0.84 KDM1A (0.73) KMT2AALDH1A1MEN1SMN1; SMN2GAA

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 KMT2A 1362/4885ALDH1A1 127/4885MEN1 536/4885
US-20120141597-A1 FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER SOD1, CYP51A1, CYP4Z1 KMT2A 1224/4885ALDH1A1 115/4885MEN1 508/4885

“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.