SCHEMBL684647

SCHEMBL684647

O=C(N/N=C/c1cc(Cl)cc(C(F)(F)F)c1O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PHGDH O43175 1/20 0.61
MAPT P10636 8/20 0.53
MEN1 O00255 7/20 0.53
KMT2A Q03164 7/20 0.53
TDP1 Q9NUW8 4/20 0.53
ALDH1A1 P00352 3/20 0.53
KDM4E B2RXH2 3/20 0.53
LMNA P02545 1/20 0.53
L3MBTL1 Q9Y468 3/20 0.52
POLB P06746 2/20 0.52
BLM P54132 2/20 0.52
NPC1 O15118 3/20 0.50
USP2 O75604 1/20 0.50
MCOLN3 Q8TDD5 1/20 0.50
SIRT1 Q96EB6 3/20 0.49
PKM P14618 1/20 0.49
RAB9A P51151 1/20 0.49
ATM Q13315 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
KDM1A O60341 1/20 0.47

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
SCHEMBL685289 0.89 DUSP3 (0.61) PHGDHMAPTMEN1KMT2ATDP1
SCHEMBL686445 0.88 PHGDH (0.69) PHGDHMAPTMEN1KMT2ATDP1
SCHEMBL684761 0.88 SIRT1 (0.61) MAPTMEN1KMT2ATDP1KDM4E
SCHEMBL683946 0.88 PHGDH (0.61) PHGDHMAPTMEN1KMT2ATDP1
SCHEMBL683971 0.87 NPC1 (0.56) MAPTMEN1KMT2ATDP1KDM4E
SCHEMBL683745 0.86 MEN1 (0.67) PHGDHMAPTMEN1KMT2ATDP1
SCHEMBL684644 0.85 SIRT1 (0.59) MAPTMEN1KMT2ATDP1KDM4E
SCHEMBL685006 0.85 ALOX5 (0.60) MAPTMEN1KMT2ATDP1KDM4E
SCHEMBL684777 0.84 SIRT1 (0.63) PHGDHMAPTMEN1KMT2ATDP1
SCHEMBL684618 0.84 PHGDH (0.62) PHGDHMAPTMEN1KMT2ATDP1

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-20120148682-A1 FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER DOW AGROSCIENCES LLC (US) 2012-06-14 US disclosed
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
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 PHGDH 1735/4885MAPT 1491/4885MEN1 536/4885
US-20120148682-A1 FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER SOD1, CYP51A1, CYP4Z1 PHGDH 1393/4885MAPT 921/4885MEN1 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.