SCHEMBL9921031

SCHEMBL9921031

O=C(N/N=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1O)c1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 4/20 0.71
PTGS2 P35354 4/20 0.71
MAPT P10636 3/20 0.59
NPC1 O15118 1/20 0.59
PKM P14618 1/20 0.59
RAB9A P51151 1/20 0.59
ATM Q13315 1/20 0.59
SIRT1 Q96EB6 4/20 0.59
LMNA P02545 3/20 0.59
KDM4E B2RXH2 2/20 0.59
KMT2A Q03164 2/20 0.59
POLB P06746 1/20 0.59
PTBP1 P26599 1/20 0.59
HTT P42858 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
MEN1 O00255 1/20 0.51
PHGDH O43175 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
SCHEMBL9921033 0.90 SIRT1 (0.62) ALOX5PTGS2MAPTNPC1PKM
SCHEMBL685684 0.89 KMT2A (0.57) ALOX5PTGS2MAPTNPC1PKM
SCHEMBL686471 0.88 SIRT1 (0.60) ALOX5PTGS2MAPTNPC1PKM
SCHEMBL9921093 0.88 SIRT1 (0.63) ALOX5PTGS2MAPTNPC1PKM
SCHEMBL9921041 0.88 KDM1A (0.60) ALOX5PTGS2MAPTNPC1PKM
SCHEMBL686245 0.88 ALOX5 (0.58) ALOX5PTGS2MAPTNPC1PKM
SCHEMBL685251 0.87 ALOX5 (0.63) ALOX5PTGS2MAPTNPC1PKM
SCHEMBL685628 0.87 ALOX5 (0.60) ALOX5PTGS2MAPTNPC1PKM
SCHEMBL685006 0.87 ALOX5 (0.60) ALOX5PTGS2MAPTNPC1PKM
SCHEMBL9921134 0.87 ALOX5 (0.60) ALOX5PTGS2MAPTNPC1PKM

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 2788/4885MAPT 1491/4885
US-20120148682-A1 FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER SOD1, CYP51A1, CYP4Z1 ALOX5 1904/4885PTGS2 2914/4885MAPT 921/4885

“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.