SCHEMBL686335

SCHEMBL686335

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.52
PTGS2 P35354 2/20 0.52
KMT2A Q03164 7/20 0.49
MEN1 O00255 5/20 0.49
MAPT P10636 4/20 0.49
HTT P42858 4/20 0.49
NPC1 O15118 2/20 0.49
PKM P14618 1/20 0.49
RAB9A P51151 1/20 0.49
ATM Q13315 1/20 0.49
PIK3CG P48736 1/20 0.47
SIRT1 Q96EB6 2/20 0.47
KDM4E B2RXH2 5/20 0.47
LMNA P02545 3/20 0.47
TDP1 Q9NUW8 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
POLB P06746 1/20 0.47
PTBP1 P26599 1/20 0.47
ALOX12 P18054 1/20 0.47
USP2 O75604 1/20 0.45

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
SCHEMBL685152 0.90 PIK3CG (0.59) ALOX5PTGS2KMT2AMEN1MAPT
SCHEMBL685652 0.90 KMT2A (0.61) ALOX5PTGS2KMT2AMEN1MAPT
SCHEMBL685628 0.90 ALOX5 (0.60) ALOX5PTGS2KMT2AMEN1MAPT
SCHEMBL685268 0.88 PIK3CG (0.54) ALOX5PTGS2KMT2AMEN1MAPT
SCHEMBL9921134 0.85 ALOX5 (0.60) ALOX5PTGS2KMT2AMEN1MAPT
SCHEMBL685008 0.85 CD38 (0.58) KMT2AMEN1MAPTHTTNPC1
SCHEMBL685291 0.84 KMT2A (0.51) ALOX5PTGS2KMT2AMEN1MAPT
SCHEMBL685617 0.83 KMT2A (0.58) ALOX5PTGS2KMT2AMEN1MAPT
SCHEMBL684748 0.82 NTRK1 (0.51) ALOX5PTGS2KMT2AMEN1MAPT
SCHEMBL9921060 0.82 ALOX5 (0.72) ALOX5PTGS2KMT2AMEN1MAPT

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-20120148682-A1 FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER DOW AGROSCIENCES LLC (US) 2012-06-14 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 ALOX5 2022/4885PTGS2 2788/4885KMT2A 1362/4885
US-20120148682-A1 FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER SOD1, CYP51A1, CYP4Z1 ALOX5 1904/4885PTGS2 2914/4885KMT2A 1224/4885

“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.