SCHEMBL683971

SCHEMBL683971

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.56
KDM4E B2RXH2 4/20 0.56
MEN1 O00255 4/20 0.56
KMT2A Q03164 4/20 0.56
TDP1 Q9NUW8 2/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
USP2 O75604 1/20 0.56
MCOLN3 Q8TDD5 1/20 0.56
RAB9A P51151 7/20 0.55
MAPT P10636 2/20 0.55
PKM P14618 1/20 0.55
ATM Q13315 1/20 0.55
SIRT1 Q96EB6 3/20 0.55
KDM1A O60341 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.51
LMNA P02545 2/20 0.51
HTT P42858 2/20 0.51
PSMD14 O00487 1/20 0.51
POLB P06746 1/20 0.51
MMP2 P08253 1/20 0.51

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
SCHEMBL684761 0.94 SIRT1 (0.61) NPC1KDM4EMEN1KMT2ATDP1
SCHEMBL684644 0.91 SIRT1 (0.59) NPC1KDM4EMEN1KMT2ATDP1
SCHEMBL685006 0.91 ALOX5 (0.60) NPC1KDM4EMEN1KMT2ATDP1
SCHEMBL684760 0.89 MAPT (0.62) NPC1KDM4EMEN1KMT2ATDP1
SCHEMBL684647 0.87 PHGDH (0.61) NPC1KDM4EMEN1KMT2ATDP1
SCHEMBL9921033 0.87 SIRT1 (0.62) NPC1KDM4EMEN1KMT2ATDP1
SCHEMBL685043 0.86 KDM1A (0.62) NPC1KDM4EMEN1KMT2ATDP1
SCHEMBL685015 0.86 RAB9A (0.55) NPC1MEN1KMT2ATDP1RAB9A
SCHEMBL684848 0.85 NPC1 (0.75) NPC1KDM4EMEN1KMT2ATDP1
SCHEMBL686471 0.85 SIRT1 (0.60) NPC1KDM4EMEN1KMT2ATDP1

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 NPC1 1690/4885KDM4E 1473/4885MEN1 536/4885
US-20120148682-A1 FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER SOD1, CYP51A1, CYP4Z1 NPC1 1052/4885KDM4E 1286/4885MEN1 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.