SCHEMBL5880178

SCHEMBL5880178

O=C(Cc1c(F)c(F)c(F)c(F)c1F)NN=Cc1ccccc1OS(=O)(=O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.48
LMNA P02545 5/20 0.48
MAPT P10636 5/20 0.48
MEN1 O00255 4/20 0.48
HTT P42858 3/20 0.48
GAA P10253 3/20 0.43
MAPK1 P28482 1/20 0.43
ALDH1A1 P00352 5/20 0.42
KDM4E B2RXH2 2/20 0.41
POLB P06746 1/20 0.41
PTBP1 P26599 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
PTGS2 P35354 1/20 0.41
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
CYP2D6 P10635 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL5880172 1.00 KMT2A (0.48) KMT2ALMNAMAPTMEN1HTT
SCHEMBL5879735 0.92 KMT2A (0.46) KMT2ALMNAMAPTMEN1HTT
SCHEMBL5879738 0.92 KMT2A (0.46) KMT2ALMNAMAPTMEN1HTT
SCHEMBL5880167 0.91 KMT2A (0.48) KMT2ALMNAMAPTMEN1HTT
SCHEMBL5880162 0.91 KMT2A (0.48) KMT2ALMNAMAPTMEN1HTT
SCHEMBL5879907 0.89 LMNA (0.51) KMT2ALMNAMAPTMEN1HTT
SCHEMBL5879910 0.89 LMNA (0.51) KMT2ALMNAMAPTMEN1HTT
SCHEMBL5880033 0.89 LMNA (0.48) KMT2ALMNAMAPTMEN1HTT
SCHEMBL5880038 0.89 LMNA (0.48) KMT2ALMNAMAPTMEN1HTT
SCHEMBL5880090 0.88 MEN1 (0.54) KMT2ALMNAMAPTMEN1HTT

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 KMT2A 1234/4885LMNA 4281/4885MAPT 4629/4885

“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.