SCHEMBL686241

SCHEMBL686241

O=C(N/N=C/c1cc(C(F)(F)F)ccc1O)c1ccc(F)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PHGDH O43175 1/20 0.67
KDM4E B2RXH2 5/20 0.62
KMT2A Q03164 4/20 0.62
LMNA P02545 3/20 0.62
SMN1; SMN2 Q16637 3/20 0.62
POLB P06746 2/20 0.62
HTT P42858 2/20 0.62
TDP1 Q9NUW8 2/20 0.62
PTBP1 P26599 1/20 0.62
SIRT1 Q96EB6 1/20 0.59
KDM1A O60341 2/20 0.57
RAB9A P51151 6/20 0.55
MEN1 O00255 3/20 0.55
PSMD14 O00487 1/20 0.55
MMP2 P08253 1/20 0.55
BLM P54132 1/20 0.55
NPC1 O15118 5/20 0.55
MAPT P10636 3/20 0.53
PKM P14618 1/20 0.53
ATM Q13315 1/20 0.53

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
SCHEMBL686354 0.90 KDM1A (0.69) PHGDHKDM4EKMT2ALMNASMN1; SMN2
SCHEMBL686261 0.90 PHGDH (0.65) PHGDHKDM4EKMT2ALMNASMN1; SMN2
SCHEMBL686258 0.90 LMNA (0.73) PHGDHKDM4EKMT2ALMNASMN1; SMN2
SCHEMBL685734 0.89 KMT2A (0.69) PHGDHKDM4EKMT2ALMNASMN1; SMN2
SCHEMBL5822348 0.89 KDM1A (0.66) PHGDHKDM4EKMT2ALMNASMN1; SMN2
SCHEMBL5812859 0.89 KDM1A (0.66) PHGDHKDM4EKMT2ALMNASMN1; SMN2
SCHEMBL5812856 0.89 KDM1A (0.66) PHGDHKDM4EKMT2ALMNASMN1; SMN2
SCHEMBL9921129 0.86 PHGDH (0.87) PHGDHKDM4EKMT2ALMNASMN1; SMN2
SCHEMBL684642 0.85 KMT2A (0.73) PHGDHKDM4EKMT2ALMNASMN1; SMN2
SCHEMBL684540 0.85 KDM1A (0.77) PHGDHKDM4EKMT2ALMNASMN1; SMN2

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 PHGDH 1735/4885KDM4E 1473/4885KMT2A 1362/4885
US-20120148682-A1 FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER SOD1, CYP51A1, CYP4Z1 PHGDH 1393/4885KDM4E 1286/4885KMT2A 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.