SCHEMBL5879834

SCHEMBL5879834

O=C(COc1ccccc1)N/N=C/c1ccccc1OS(=O)(=O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.53
KMT2A Q03164 6/20 0.52
MEN1 O00255 4/20 0.52
KDM4E B2RXH2 3/20 0.52
ALDH1A1 P00352 8/20 0.49
NPSR1 Q6W5P4 1/20 0.49
MAPT P10636 8/20 0.48
LMNA P02545 5/20 0.48
HTT P42858 1/20 0.48
CYP1A2 P05177 1/20 0.48
POLB P06746 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
GAA P10253 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
ANO1 Q5XXA6 1/20 0.45
PTGDR2 Q9Y5Y4 1/20 0.44

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
SCHEMBL6378261 1.00 MAPK1 (0.53) MAPK1KMT2AMEN1KDM4EALDH1A1
SCHEMBL5880198 0.90 MAPT (0.55) MAPK1KMT2AMEN1KDM4EALDH1A1
SCHEMBL5880202 0.90 MAPT (0.55) MAPK1KMT2AMEN1KDM4EALDH1A1
SCHEMBL5879820 0.88 ALDH1A1 (0.49) MAPK1KMT2AMEN1KDM4EALDH1A1
SCHEMBL5879825 0.88 ALDH1A1 (0.49) MAPK1KMT2AMEN1KDM4EALDH1A1
SCHEMBL5880090 0.86 MEN1 (0.54) MAPK1KMT2AMEN1KDM4EALDH1A1
SCHEMBL5880094 0.86 MEN1 (0.54) MAPK1KMT2AMEN1KDM4EALDH1A1
SCHEMBL5880128 0.86 MAPT (0.58) MAPK1KMT2AMEN1KDM4EALDH1A1
SCHEMBL5880124 0.86 MAPT (0.58) MAPK1KMT2AMEN1KDM4EALDH1A1
SCHEMBL5880032 0.85 KMT2A (0.46) MAPK1KMT2AMEN1KDM4EALDH1A1

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-7026339-B2 Inhibitors of HCV NS5B polymerase PFIZER INC. 2006-04-11 US disclosed
US-20050154056-A1 [(hetero)aryl or cycloalkylacetylhydrazono]methylbenzene derivatives, o-substituted with (hetero)aryl- or cycloalkyl- sulfonyloxy-, sulfonylamino-, S(O)0-2methyl-, or methoxy- groups, e.g., 3-chloro-2-((E)-{[(3-methoxyphenyl)acetyl]hydrazono}methyl)phenyl 4-(trifluoromethyl)benzenesulfonate PHARMACIA & UPJOHN COMPANY 2005-07-14 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 (1 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-20050154056-A1 [(hetero)aryl or cycloalkylacetylhydrazono]methylbenzene derivatives, o-substituted with (hetero)aryl- or cycloalkyl- sulfonyloxy-, sulfonylamino-, S(O)0-2methyl-, or methoxy- groups, e.g., 3-chloro-2-((E)-{[(3-methoxyphenyl)acetyl]hydrazono}methyl)phenyl 4-(trifluoromethyl)benzenesulfonate ACACB, HCCS, HAVCR2 MAPK1 3992/4885KMT2A 1234/4885MEN1 4884/4885

“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.