SCHEMBL685734

SCHEMBL685734

O=C(N/N=C/c1cc(C(F)(F)F)ccc1O)c1cccc(F)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.69
SMN1; SMN2 Q16637 5/20 0.69
KDM4E B2RXH2 4/20 0.69
HTT P42858 3/20 0.69
LMNA P02545 3/20 0.69
PTBP1 P26599 2/20 0.69
POLB P06746 2/20 0.69
TDP1 Q9NUW8 1/20 0.69
MAPT P10636 6/20 0.59
HPGD P15428 3/20 0.59
NPC1 O15118 3/20 0.59
RAB9A P51151 3/20 0.59
ALDH1A1 P00352 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
PHGDH O43175 1/20 0.58
MEN1 O00255 4/20 0.58
CYP1A2 P05177 2/20 0.57
CYP3A4 P08684 2/20 0.57
CYP2C19 P33261 2/20 0.57

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
SCHEMBL686258 0.89 LMNA (0.73) KMT2ASMN1; SMN2KDM4EHTTLMNA
SCHEMBL686241 0.89 PHGDH (0.67) KMT2ASMN1; SMN2KDM4EHTTLMNA
SCHEMBL686260 0.87 KDM4E (0.68) KMT2ASMN1; SMN2KDM4EHTTLMNA
SCHEMBL20587749 0.87 KMT2A (0.68) KMT2ASMN1; SMN2KDM4EHTTLMNA
SCHEMBL22179548 0.87 KMT2A (0.68) KMT2ASMN1; SMN2KDM4EHTTLMNA
SCHEMBL686554 0.87 KDM1A (0.69) KMT2ASMN1; SMN2KDM4EHTTLMNA
SCHEMBL20587748 0.87 KMT2A (0.68) KMT2ASMN1; SMN2KDM4EHTTLMNA
SCHEMBL6571437 0.85 KDM4E (0.78) KMT2ASMN1; SMN2KDM4EHTTLMNA
SCHEMBL6571440 0.85 KDM4E (0.78) KMT2ASMN1; SMN2KDM4EHTTLMNA
SCHEMBL685684 0.84 KMT2A (0.57) KMT2ASMN1; SMN2KDM4EHTTLMNA

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 KMT2A 1362/4885SMN1; SMN2 4107/4885KDM4E 1473/4885
US-20120148682-A1 FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER SOD1, CYP51A1, CYP4Z1 KMT2A 1224/4885SMN1; SMN2 3775/4885KDM4E 1286/4885

“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.