SCHEMBL9921033

SCHEMBL9921033

O=C(N/N=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1O)c1ccc(F)cc1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 4/20 0.62
ALOX5 P09917 4/20 0.58
PTGS2 P35354 4/20 0.58
RAB9A P51151 4/20 0.56
NPC1 O15118 3/20 0.56
MAPT P10636 2/20 0.56
PKM P14618 1/20 0.56
ATM Q13315 1/20 0.56
LMNA P02545 2/20 0.53
PHGDH O43175 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.51
KDM4E B2RXH2 2/20 0.51
KMT2A Q03164 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
POLB P06746 1/20 0.50
PTBP1 P26599 1/20 0.50
HTT P42858 1/20 0.50
MEN1 O00255 1/20 0.47
MYC P01106 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
SCHEMBL686471 0.91 SIRT1 (0.60) SIRT1ALOX5PTGS2RAB9ANPC1
SCHEMBL9921093 0.91 SIRT1 (0.63) SIRT1ALOX5PTGS2RAB9ANPC1
SCHEMBL9921031 0.90 ALOX5 (0.71) SIRT1ALOX5PTGS2RAB9ANPC1
SCHEMBL685684 0.89 KMT2A (0.57) SIRT1ALOX5PTGS2RAB9ANPC1
SCHEMBL685015 0.87 RAB9A (0.55) SIRT1ALOX5PTGS2RAB9ANPC1
SCHEMBL683971 0.87 NPC1 (0.56) SIRT1ALOX5PTGS2RAB9ANPC1
SCHEMBL9921127 0.87 SIRT1 (0.61) SIRT1ALOX5PTGS2RAB9ANPC1
SCHEMBL686445 0.87 PHGDH (0.69) SIRT1ALOX5PTGS2RAB9ANPC1
SCHEMBL686241 0.84 PHGDH (0.67) SIRT1RAB9ANPC1MAPTPKM
SCHEMBL686245 0.83 ALOX5 (0.58) SIRT1ALOX5PTGS2RAB9ANPC1

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 SIRT1 2400/4885ALOX5 2022/4885PTGS2 2788/4885
US-20120148682-A1 FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER SOD1, CYP51A1, CYP4Z1 SIRT1 1977/4885ALOX5 1904/4885PTGS2 2914/4885

“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.