SCHEMBL5879730

SCHEMBL5879730

O=C(Cc1cccnc1)N/N=C/c1ccccc1OS(=O)(=O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.50
PKM P14618 1/20 0.50
LMNA P02545 7/20 0.49
HTT P42858 4/20 0.46
MAPT P10636 5/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
ALDH1A1 P00352 5/20 0.44
THRB P10828 1/20 0.44
HPGD P15428 1/20 0.44
NAMPT P43490 1/20 0.43
KDM4E B2RXH2 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
RXFP1 Q9HBX9 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL5879733 1.00 GAA (0.50) GAAPKMLMNAHTTMAPT
SCHEMBL5880154 0.91 GAA (0.49) GAAPKMLMNAHTTMAPT
SCHEMBL5880150 0.91 GAA (0.49) GAAPKMLMNAHTTMAPT
SCHEMBL5880137 0.91 LMNA (0.48) GAALMNAHTTMAPTMEN1
SCHEMBL5880132 0.91 LMNA (0.48) GAALMNAHTTMAPTMEN1
SCHEMBL5880090 0.90 MEN1 (0.54) GAALMNAHTTMAPTMEN1
SCHEMBL5880094 0.90 MEN1 (0.54) GAALMNAHTTMAPTMEN1
SCHEMBL5879907 0.89 LMNA (0.51) GAALMNAHTTMAPTMEN1
SCHEMBL5879910 0.89 LMNA (0.51) GAALMNAHTTMAPTMEN1
SCHEMBL5880021 0.87 KMT2A (0.43) GAAPKMLMNAHTTMAPT

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 GAA 1027/4885PKM 3565/4885LMNA 4281/4885

“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.